JNJ-10198409
- Iupac Name：N-(3-fluorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[1,2-c]pyrazol-3-amine
- CAS No.: 627518-40-5
- Molecular Weight：325.3369432
- Modify Date.: 2022-11-25 07:28
1. Names and Identifiers
- 1.1 Name
- JNJ-10198409
- 1.2 Synonyms
3-Fluoro-N-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenylamine Indeno[1,2-c]pyrazol-3-amine, N-(3-fluorophenyl)-1,4-dihydro-6,7-dimethoxy- JNJ-10198409 JNJ-10198409 (This product is only available in Japan.) JNJ-10198409, Free Base N-(3-Fluorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[1,2-c]pyrazol-3-amine PDGFR Tyrosine Kinase Inhibitor IV RWJ 540973, 3-Fluoro-N-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenylamine, N-(3-fluorophenyl)-2,4-dihydro-6,7-dimethoxy-Indeno[1,2-c]pyrazol-3-amine
- 1.3 CAS No.
- 627518-40-5
- 1.4 CID
- 9797370
- 1.5 Molecular Formula
- C18H16FN3O2 (isomer)
- 1.6 Inchi
- InChI=1S/C18H16FN3O2/c1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)21-22-18(14)20-12-5-3-4-11(19)8-12/h3-5,7-9H,6H2,1-2H3,(H2,20,21,22)
- 1.7 InChkey
- ZDNURMVOKAERHZ-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- COC1=C(C=C2C(=C1)CC3=C2NN=C3NC4=CC(=CC=C4)F)OC
- 1.9 Isomers Smiles
- COC1=C(C=C2C(=C1)CC3=C2NN=C3NC4=CC(=CC=C4)F)OC
2. Properties
- 2.1 Density
- 1.366±0.06 g/cm3(Predicted)
- 2.1 Melting point
- 171-173.5 °C
- 2.1 Boiling point
- 528.8±50.0 °C(Predicted)
- 2.1 Refractive index
- 1.671
- 2.1 Flash Point
- 273.6±30.1 °C
- 2.1 PSA
- 59.17
- 2.1 logP
- 3.91
- 2.1 Solubility
- DMSO: >10mg/mL
- 2.2 Color/Form
- off-white
- 2.3 pKa
- 14.01±0.20(Predicted)
- 2.4 Water Solubility
- DMSO: >10mg/mL
- 2.5 StorageTemp
- −20°C
4. Other Information
- 4.0 Metabolism
- JNJ-10198409 has known human metabolites that include JNJ-10198409 N-glucuronide B and JNJ-10198409 N-glucuronide C.
- 4.1 Mesh Entry Terms
- (6,7-dimethoxy-2,4-dihydroindeno(1,2-c)pyrazol-3-yl)(3-fluorophenyl)amine
5. Computational chemical data
- Molecular Weight: 325.3369432g/mol
- Molecular Formula: C18H16FN3O2
- Compound Is Canonicalized: True
- XLogP3-AA: 3.8
- Exact Mass: 325.12265492
- Monoisotopic Mass: 325.12265492
- Complexity: 441
- Rotatable Bond Count: 4
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 59.2
- Heavy Atom Count: 24
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceB7MQAAAAAAAAAAAAAAAAAAAeIAAAAwYAAAAAAWAGAB0AAAHwAYAAAADAyBngoz9pLjBACiAyZiYACSDAIhIgAduSAm7JiNJuLE+duEtCp02BPK6Cew0PEOoAABAAAQQABAAAIAACCAASAACQAAAA==
6. Recommended Suppliers
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- Products:Shanghai Forever Synthesis Co.,Ltd. is a professional chemical supplier for API, intermediates, fine chemicals, and customized synthesis.
- Tel:86-21-61124658
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- Products:building blocks, synthetic intermediates, custom synthesis
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7. Realated Product Infomation
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