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Also known as: Ravidasvir [usan], 1242087-93-9, Ppi-668 free base, Al3g001bi8, Bi 238630, Bi-238630

Molecular Formula

C₄₂H₅₀N₈O₆

Molecular Weight

762.9 g/mol

InChI Key

LCHMHYPWGWYXEL-ZYADHFCISA-N

FDA UNII

AL3G001BI8

Ravidasvir is under investigation in clinical trial NCT02961426 (Sofosbuvir Plus Ravidasvir for the Treatment of HCV Chronic Infection).

1 2D Structure

Ravidasvir

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

2.1.2 InChI

InChI=1S/C42H50N8O6/c1-23(2)35(47-41(53)55-5)39(51)49-17-7-9-33(49)37-43-22-32(46-37)29-14-13-25-19-26(11-12-27(25)20-29)28-15-16-30-31(21-28)45-38(44-30)34-10-8-18-50(34)40(52)36(24(3)4)48-42(54)56-6/h11-16,19-24,33-36H,7-10,17-18H2,1-6H3,(H,43,46)(H,44,45)(H,47,53)(H,48,54)/t33-,34-,35-,36-/m0/s1

2.1.3 InChI Key

LCHMHYPWGWYXEL-ZYADHFCISA-N

2.1.4 Canonical SMILES

CC(C)C(C(=O)N1CCCC1C2=NC3=C(N2)C=C(C=C3)C4=CC5=C(C=C4)C=C(C=C5)C6=CN=C(N6)C7CCCN7C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC

2.1.5 Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC3=C(N2)C=C(C=C3)C4=CC5=C(C=C4)C=C(C=C5)C6=CN=C(N6)[C@@H]7CCCN7C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC

2.2 Other Identifiers

2.2.1 UNII

AL3G001BI8

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Ppi-668

2.3.2 Depositor-Supplied Synonyms

1. Ravidasvir [usan]

2. 1242087-93-9

3. Ppi-668 Free Base

4. Al3g001bi8

5. Bi 238630

6. Bi-238630

7. Carbamic Acid, N-((1s)-1-(((2s)-2-(5-(6-(2-((2s)-1-((2s)-2-((methoxycarbonyl)amino)-3-methyl-1-oxobutyl)-2-pyrrolidinyl)-1h-benzimidazol-6-yl)-2-naphthalenyl)-1h-imidazol-2-yl)-1-pyrrolidinyl)carbonyl)-2-methylpropyl)-, Methyl Ester

8. Methyl N-((1s)-1-(((2s)-2-(5-(6-(2-((2s)-1-((2s)-2-((methoxycarbonyl)amino)-3- Methylbutanoyl)pyrrolidin-2-yl)-1h-imidazol-4-yl)naphthalen-2-yl)-1h-benzimidazol-2-yl)pyrrolidin-1-yl)carbonyl)-2-methylpropyl)carbamate

9. Methyl N-[(2s)-1-[(2s)-2-[5-[6-[2-[(2s)-1-[(2s)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3h-benzimidazol-5-yl]naphthalen-2-yl]-1h-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

10. Carbamic Acid, N-[(1s)-1-[[(2s)-2-[5-[6-[2-[(2s)-1-[(2s)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-1h-benzimidazol-6-yl]-2-naphthalenyl]-1h-imidazol-2-yl]-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-, Methyl Ester

11. Unii-al3g001bi8

12. Ravidasvir Free Base

13. Bl-238630

14. Ravidasvir [inn]

15. Ravidasvir [who-dd]

16. Schembl7603463

17. Chembl3121849

18. Schembl12075676

19. Bdbm243443

20. Dtxsid401335997

21. Us9427428, 3

22. Q27273972

23. Methyl ((1s)-1-(((2s)-2-(4-(6-(2-((2s)-1-((2s)-2-((methoxycarbonyl)amino)-3-methylbutanoyl)-2-pyrrolidinyl)-1h-benzimidazol-5-yl)-2-naphthyl)-1h-imidazol-2-yl)-1-pyrrolidinyl)carbonyl)-2-methylpropyl)carbamate

24. Methyl N-[(1s)-1-[[(2s)-2-[5-[6-[2-[(2s)-1-[(2s)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-1h-benzimidazol-6-yl]-2-naphthalenyl]-1h-imidazol-2-yl]-1-pyrrolidinyl]carbonyl]-2-methylpropyl]carbamate

25. Methyl((1s)-1-(((2s)-2-(4-(6-(2-((2s)-1-((2s)-2-((methoxycarbonyl)amino)-3-methylbutanoyl)-2-pyrrolidinyl)-1h-benzimidazol-5-yl)-2-naphthyl)-1h-imidazol-2-yl)-1-pyrrolidinyl)carbonyl)-2-methylpropyl)carbamate

26. Methyl((s)-1-((s)-2-(5-(6-(2((s)-1-((methoxycarbonyl)-l-valyl)pyrrolidin-2-yl)-1h-imidazol-4-yl)naphthalen-2-yl)-1h-benzo[d]imidazol-2-yl) Pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate

27. Methyln-[(1s)-1-[[(2s)-2-[5-[6-[2-[(2s)-1-[(2s)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-1h-benzimidazol-6-yl]-2-naphthalenyl]-1h-imidazol-2-yl]-1-pyrrolidinyl]carbonyl]-2-methylpropyl]carbamate

2.4 Create Date

2011-06-06

3 Chemical and Physical Properties

Molecular Formula	C₄₂H₅₀N₈O₆
Molecular Weight	762.9 g/mol
XLogP3	6.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	12
Exact Mass	762.38533134 g/mol
Monoisotopic Mass	762.38533134 g/mol
Topological Polar Surface Area	175 Å²
Heavy Atom Count	56
Formal Charge	0
Complexity	1400
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1