CAS 2212022-56-3

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Also known as: (s)-1-(4-fluoro-1-methyl-1h-indazol-5-yl)-3-(2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridin-3-yl)-1,3-dihydro-2h-imidazol-2-one, Refchem:407775, 998-345-3, 2212022-56-3, (s)-1-(4-fluoro-1-methyl-1h-indazol-5-yl)-3-(2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridin-3-yl)-1h-imidazol-2(3h)-one, 2h-imidazol-2-one, 1-[(4s)-2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydro-4-methyl-2h-pyrazolo[4,3-c]pyridin-3-yl]-3-(4-fluoro-1-methyl-1h-indazol-5-yl)-1,3-dihydro-

Molecular Formula

C₂₆H₂₅F₂N₇O

Molecular Weight

489.5 g/mol

InChI Key

RUAXBTGNBAFEOY-INIZCTEOSA-N

FDA UNII

4MY4T3LE4R

1 2D Structure

CAS 2212022-56-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(4-fluoro-1-methylindazol-5-yl)imidazol-2-one

2.1.2 InChI

InChI=1S/C26H25F2N7O/c1-14-11-17(12-15(2)23(14)27)35-25(22-16(3)29-8-7-19(22)31-35)34-10-9-33(26(34)36)21-6-5-20-18(24(21)28)13-30-32(20)4/h5-6,9-13,16,29H,7-8H2,1-4H3/t16-/m0/s1

2.1.3 InChI Key

RUAXBTGNBAFEOY-INIZCTEOSA-N

2.2 Other Identifiers

2.2.1 UNII

4MY4T3LE4R

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. (s)-1-(4-fluoro-1-methyl-1h-indazol-5-yl)-3-(2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridin-3-yl)-1,3-dihydro-2h-imidazol-2-one

2. Refchem:407775

3. 998-345-3

4. 2212022-56-3

5. (s)-1-(4-fluoro-1-methyl-1h-indazol-5-yl)-3-(2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridin-3-yl)-1h-imidazol-2(3h)-one

6. 2h-imidazol-2-one, 1-[(4s)-2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydro-4-methyl-2h-pyrazolo[4,3-c]pyridin-3-yl]-3-(4-fluoro-1-methyl-1h-indazol-5-yl)-1,3-dihydro-

7. 4my4t3le4r

8. Schembl21183758

9. Schembl30944770

10. Ex-a15197

11. H27217

12. 1-[(4s)-2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydro-4-methyl-2h-pyrazolo[4,3-c]pyridin-3-yl]-3-(4-fluoro-1-methyl-1h-indazol-5-yl)-1,3-dihydro-2h-imidazol-2-one

2.4 Create Date

2019-11-02

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₂₅F₂N₇O
Molecular Weight	489.5 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	71.2
Heavy Atom Count	36
Formal Charge	0
Complexity	865
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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