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Also known as: 1496509-78-4, Nenocorilant [inn], Mv83v7at2z, Hy-147293, Chembl4068844, Hy147293

Molecular Formula

C₂₆H₂₁F₄N₇O₃S

Molecular Weight

587.6 g/mol

InChI Key

PZIQQHVUAHTSJN-VWLOTQADSA-N

FDA UNII

MV83V7AT2Z

1 2D Structure

Nenocorilant

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(4aR)-1-(4-fluorophenyl)-6-(2-methyltriazol-4-yl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone

2.1.2 InChI

InChI=1S/C26H21F4N7O3S/c1-35-32-14-23(34-35)41(39,40)36-9-7-17-11-22-16(13-33-37(22)20-4-2-19(27)3-5-20)12-25(17,15-36)24(38)21-10-18(6-8-31-21)26(28,29)30/h2-6,8,10-11,13-14H,7,9,12,15H2,1H3/t25-/m0/s1

2.1.3 InChI Key

PZIQQHVUAHTSJN-VWLOTQADSA-N

2.2 Other Identifiers

2.2.1 UNII

MV83V7AT2Z

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1496509-78-4

2. Nenocorilant [inn]

3. Mv83v7at2z

4. Hy-147293

5. Chembl4068844

6. Hy147293

7. [(4ar)-1-(4-fluorophenyl)-6-(2-methyltriazol-4-yl)sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-[4-(trifluoromethyl)pyridin-2-yl]methanone

8. ((4ar)-1-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-6-((2-methyl-2h-1,2,3-triazol-4-yl)sulfonyl)-4ah-pyrazolo(3,4-g)isoquinolin-4a-yl)(4-(trifluoromethyl)-2-pyridinyl)methanone

9. ((4ar)-1-(4-fluorophenyl)-6-(2-methyl-2h-1,2,3-triazole-4-sulfonyl)-1,4,5,6,7,8-hexahydro-4ahpyrazolo(3,4-g)isoquinolin-4a-yl)(4-(trifluoromethyl)pyridin-2-yl)methanone

10. [(4ar)-1-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-6-[(2-methyl-2h-1,2,3-triazol-4-yl)sulfonyl]-4ah-pyrazolo[3,4-g]isoquinolin-4a-yl][4-(trifluoromethyl)-2-pyridinyl]methanone

11. [(4ar)-1-(4-fluorophenyl)-6-(2-methyl-2h-1,2,3-triazole-4-sulfonyl)-1,4,5,6,7,8-hexahydro-4ahpyrazolo[3,4-g]isoquinolin-4a-yl][4-(trifluoromethyl)pyridin-2-yl]methanone

12. Methanone, ((4ar)-1-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-6-((2-methyl-2h-1,2,3-triazol-4-yl)sulfonyl)-4ah-pyrazolo(3,4-g)isoquinolin-4a-yl)(4-(trifluoromethyl)-2-pyridinyl)-

13. Methanone, [(4ar)-1-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-6-[(2-methyl-2h-1,2,3-triazol-4-yl)sulfonyl]-4ah-pyrazolo[3,4-g]isoquinolin-4a-yl][4-(trifluoromethyl)-2-pyridinyl]-

14. Unii-mv83v7at2z

15. Orb1685882

16. Schembl15454104

17. Schembl30378795

18. Pziqqhvuahtsjn-vwlotqadsa-n

19. Bdbm50265832

20. Da-56093

21. Cs-0564136

2.4 Create Date

2015-02-13

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₂₁F₄N₇O₃S
Molecular Weight	587.6 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	124
Heavy Atom Count	41
Formal Charge	0
Complexity	1140
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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