F5835-0472

Iupac Name：1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide

Molecular Weight：459.506

Modify Date.: 2022-02-11 22:05

1. Names and Identifiers

1.1 Name: F5835-0472
1.2 Synonyms: AKOS024521910 MCULE-7589907285 MOLPORT-009-745-120 n-(2-(pyridin-4-yl)ethyl)cyclopropanesulfonamide ZINC44444406

1.6 Inchi: InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)

1.8 Canonical Smiles: COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N

1.9 Isomers Smiles: COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N

2. Properties

3. MSDS

Specific target organ toxicity \u2013 repeated exposure, Category 1

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H372 Causes damage to organs through prolonged or repeated exposure
Precautionary statement(s)
Prevention	P260 Do not breathe dust/fume/gas/mist/vapours/spray. P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product.
Response	P314 Get medical advice/attention if you feel unwell.
Storage	none
Disposal	P501 Dispose of contents/container to ...

none

4. Computational chemical data

Molecular Weight: 459.506g/mol
Molecular Formula: C_₁₃H_₁₇NO_₃S
Compound Is Canonicalized: True
XLogP3-AA: 2.2
Exact Mass: 459.19065430
Monoisotopic Mass: 459.19065430
Complexity: 777
Rotatable Bond Count: 5
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 5
Topological Polar Surface Area: 111
Heavy Atom Count: 34
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: AAADceB7uAAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFgB0AAAHgAYAAAADAzBngYyxpNIBACqAyVyVACSDCAnIgAYmCGubNgMZnLE9fuUtShkzhHI6Qe8QwAKAECAAAAAAAAAgQAAAAAAAAAAAAAAAA==

5. Question & Answer

Apixaban's related introduction May 16 2021
IMPORTANT WARNING: If you have atrial fibrillation (a condition in which the heart beats irregularly, increasing the chance of clots forming in the body, and possibly causing strokes) and are taking apixaban to help prevent strokes or serious blood clots, you are at a higher risk of having a stroke...

7. Realated Product Infomation

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