About (6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropyloxyphenyl)-6-(hydroxymethyl)-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]methyl]-2-[1-[(2R)-2-hydroxypropyl]benzimidazol-5-yl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
(6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropyloxyphenyl)-6-(hydroxymethyl)-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]methyl]-2-[1-[(2R)-2-hydroxypropyl]benzimidazol-5-yl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 165094249) has the molecular formula C152H154Br4N30O15
and a molecular weight of 2960.71 g/mol. Its IUPAC name is (6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropyloxyphenyl)-6-(hydroxymethyl)-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]methyl]-2-[1-[(2R)-2-hydroxypropyl]benzimidazol-5-yl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
Frequently Asked Questions
What is the IUPAC name of (6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropyloxyphenyl)-6-(hydroxymethyl)-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]methyl]-2-[1-[(2R)-2-hydroxypropyl]benzimidazol-5-yl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of (6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropyloxyphenyl)-6-(hydroxymethyl)-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]methyl]-2-[1-[(2R)-2-hydroxypropyl]benzimidazol-5-yl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 165094249) is (6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropyloxyphenyl)-6-(hydroxymethyl)-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]methyl]-2-[1-[(2R)-2-hydroxypropyl]benzimidazol-5-yl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for (6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropyloxyphenyl)-6-(hydroxymethyl)-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]methyl]-2-[1-[(2R)-2-hydroxypropyl]benzimidazol-5-yl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for (6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropyloxyphenyl)-6-(hydroxymethyl)-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]methyl]-2-[1-[(2R)-2-hydroxypropyl]benzimidazol-5-yl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CCn1ccc(-c2ccccc2CNC(=O)c2c3n(c(=O)n2-c2ccc4c(c2)ncn4C[C@@H](C)O)C[C@@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)n1.Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ncccn4)n(-c4ccc(OC5CC5)cc4)c(=O)n3C[C@H]2CO)ccc1Br.Cc1ccn(-c2ccccc2CNC(=O)c2c3n(c(=O)n2-c2ccc(N4CC5(CN(C)C5)C4)cc2)C[C@@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)n1.Cc1ccn(-c2ccccc2CNC(=O)c2c3n(c(=O)n2-c2ccc(N4CC5(CN(C)C5)C4)cc2)C[C@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)n1.
What is the InChIKey of (6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropyloxyphenyl)-6-(hydroxymethyl)-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]methyl]-2-[1-[(2R)-2-hydroxypropyl]benzimidazol-5-yl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is XFQUBOPMHXCDEN-OPXQGIBSSA-N. The full InChI is InChI=1S/2C39H41BrN8O3.C38H39BrN8O4.C36H33BrN6O5/c2*1-25-17-28(9-14-32(25)40)37(50)45-20-34-35(36(49)41-18-29-7-5-6-8-33(29)47-16-15-26(2)42-47)48(38(51)46(34)19-27(45)3)31-12-10-30(11-13-31)44-23-39(24-44)21-43(4)22-39;1-5-44-15-14-31(42-44)29-9-7-6-8-27(29)18-40-36(49)35-34-21-45(37(50)26-10-12-30(39)23(2)16-26)24(3)19-46(34)38(51)47(35)28-11-13-33-32(17-28)41-22-43(33)20-25(4)48;1-22-17-23(7-14-30(22)37)35(46)41-20-31-32(34(45)40-18-24-5-2-3-6-29(24)33-38-15-4-16-39-33)43(36(47)42(31)19-26(41)21-44)25-8-10-27(11-9-25)48-28-12-13-28/h2*5-17,27H,18-24H2,1-4H3,(H,41,49);6-17,22,24-25,48H,5,18-21H2,1-4H3,(H,40,49);2-11,14-17,26,28,44H,12-13,18-21H2,1H3,(H,40,45)/t2*27-;24-,25-;26-/m1010/s1.
What are the key properties of (6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropyloxyphenyl)-6-(hydroxymethyl)-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]methyl]-2-[1-[(2R)-2-hydroxypropyl]benzimidazol-5-yl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
(6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropyloxyphenyl)-6-(hydroxymethyl)-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]methyl]-2-[1-[(2R)-2-hydroxypropyl]benzimidazol-5-yl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 2960.71 g/mol, XLogP of 19.81, 32 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropyloxyphenyl)-6-(hydroxymethyl)-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]methyl]-2-[1-[(2R)-2-hydroxypropyl]benzimidazol-5-yl]-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 165094249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).