About (6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclobutyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclopropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(5R)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3-cyano-4-fluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide
(6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclobutyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclopropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(5R)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3-cyano-4-fluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 161155661) has the molecular formula C117H117F19N34O12
and a molecular weight of 2552.41 g/mol. Its IUPAC name is (6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclobutyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclopropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(5R)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3-cyano-4-fluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide.
Frequently Asked Questions
What is the IUPAC name of (6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclobutyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclopropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(5R)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3-cyano-4-fluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of (6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclobutyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclopropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(5R)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3-cyano-4-fluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide (CID 161155661) is (6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclobutyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclopropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(5R)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3-cyano-4-fluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for (6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclobutyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclopropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(5R)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3-cyano-4-fluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for (6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclobutyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclopropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(5R)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3-cyano-4-fluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide is C[C@@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)Cc2c(C(=O)C[C@H](C)C(F)(F)F)ncn21.C[C@@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)Cc2c(C(=O)C[C@H](C)C(F)(F)F)nnn21.C[C@H](CC(=O)c1nnn2c1CN(C(=O)Nc1ccc(F)c(F)c1)[C@@H](C)C2)C(F)(F)F.C[C@H]1Cn2cnc(C(=O)NC3(C)CC3)c2CN1C(=O)Nc1ccc(F)c(C#N)c1.C[C@H]1Cn2cnc(C(=O)NC3(C)CCC3)c2CN1C(=O)Nc1ccc(F)c(C#N)c1.C[C@H]1Cn2nnc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(C#N)c1.
What is the InChIKey of (6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclobutyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclopropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(5R)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3-cyano-4-fluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is UPGJJWXBQBGRIX-QLRSSETDSA-N. The full InChI is InChI=1S/C21H23FN6O2.C20H19F4N5O2.C20H21FN6O2.2C19H18F4N6O2.C18H18F5N5O2/c1-13-10-27-12-24-18(19(29)26-21(2)6-3-7-21)17(27)11-28(13)20(30)25-15-4-5-16(22)14(8-15)9-23;1-11(20(22,23)24)5-17(30)18-16-9-28(8-12(2)29(16)10-26-18)19(31)27-14-3-4-15(21)13(6-14)7-25;1-12-9-26-11-23-17(18(28)25-20(2)5-6-20)16(26)10-27(12)19(29)24-14-3-4-15(21)13(7-14)8-22;1-10(19(21,22)23)5-16(30)17-15-9-28(11(2)8-29(15)27-26-17)18(31)25-13-3-4-14(20)12(6-13)7-24;1-10(19(21,22)23)5-16(30)17-15-9-28(8-11(2)29(15)27-26-17)18(31)25-13-3-4-14(20)12(6-13)7-24;1-9(18(21,22)23)5-15(29)16-14-8-27(10(2)7-28(14)26-25-16)17(30)24-11-3-4-12(19)13(20)6-11/h4-5,8,12-13H,3,6-7,10-11H2,1-2H3,(H,25,30)(H,26,29);3-4,6,10-12H,5,8-9H2,1-2H3,(H,27,31);3-4,7,11-12H,5-6,9-10H2,1-2H3,(H,24,29)(H,25,28);2*3-4,6,10-11H,5,8-9H2,1-2H3,(H,25,31);3-4,6,9-10H,5,7-8H2,1-2H3,(H,24,30)/t13-;11-,12+;12-;10-,11-;10-,11+;9-,10+/m000001/s1.
What are the key properties of (6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclobutyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclopropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(5R)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3-cyano-4-fluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide?
(6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclobutyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclopropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(5R)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3-cyano-4-fluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 2552.41 g/mol, XLogP of 20.82, 22 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclobutyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-(1-methylcyclopropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide;(5R)-N-(3-cyano-4-fluorophenyl)-5-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3-cyano-4-fluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 161155661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).