(6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-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)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(1-methylcyclopropyl)methoxy]phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-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]-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C149H146Br4N26O17 — CID 165079666

IUPAC(6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-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)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(1-methylcyclopropyl)methoxy]phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-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]-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4cccnn4)n(-c4ccc(N5CC6(CN(C)C6)C5)cc4)c(=O)n3C[C@H]2C)ccc1Br.Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ccncn4)n(-c4ccc(OCC5(C)CC5)cc4)c(=O)n3C[C@@H]2C)ccc1Br.Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ncccn4)n(-c4ccc(OC[C@@H](C)O)cc4)c(=O)n3C[C@@H]2C)ccc1Br.Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ncccn4)n(-c4ccc(OC[C@@H](C)O)cc4)c(=O)n3C[C@H]2C)ccc1Br
InChIInChI=1S/C39H39BrN8O3.C38H37BrN6O4.2C36H35BrN6O5/c1-25-17-27(10-15-32(25)40)37(50)46-20-34-35(36(49)41-18-28-7-4-5-8-31(28)33-9-6-16-42-43-33)48(38(51)47(34)19-26(46)2)30-13-11-29(12-14-30)45-23-39(24-45)21-44(3)22-39;1-24-18-26(8-13-31(24)39)36(47)43-21-33-34(35(46)41-19-27-6-4-5-7-30(27)32-14-17-40-23-42-32)45(37(48)44(33)20-25(43)2)28-9-11-29(12-10-28)49-22-38(3)15-16-38;2*1-22-17-25(9-14-30(22)37)35(46)41-20-31-32(34(45)40-18-26-7-4-5-8-29(26)33-38-15-6-16-39-33)43(36(47)42(31)19-23(41)2)27-10-12-28(13-11-27)48-21-24(3)44/h4-17,26H,18-24H2,1-3H3,(H,41,49);4-14,17-18,23,25H,15-16,19-22H2,1-3H3,(H,41,46);2*4-17,23-24,44H,18-21H2,1-3H3,(H,40,45)/t26-;25-;23-,24+;23-,24-/m1001/s1
InChIKeyUXHXAXYDXWQPLT-TWODLBGESA-N
MW2892.59 g/mol
LogP21.02
Rot. Bonds34

About (6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-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)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(1-methylcyclopropyl)methoxy]phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-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]-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

(6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-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)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(1-methylcyclopropyl)methoxy]phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-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]-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 165079666) has the molecular formula C149H146Br4N26O17 and a molecular weight of 2892.59 g/mol. Its IUPAC name is (6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-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)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(1-methylcyclopropyl)methoxy]phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-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]-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name(6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-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)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(1-methylcyclopropyl)methoxy]phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-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]-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID165079666
Molecular FormulaC149H146Br4N26O17
Molecular Weight2892.59 g/mol
Exact Mass2886.81
IUPAC Name(6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-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)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(1-methylcyclopropyl)methoxy]phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-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]-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4cccnn4)n(-c4ccc(N5CC6(CN(C)C6)C5)cc4)c(=O)n3C[C@H]2C)ccc1Br.Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ccncn4)n(-c4ccc(OCC5(C)CC5)cc4)c(=O)n3C[C@@H]2C)ccc1Br.Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ncccn4)n(-c4ccc(OC[C@@H](C)O)cc4)c(=O)n3C[C@@H]2C)ccc1Br.Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ncccn4)n(-c4ccc(OC[C@@H](C)O)cc4)c(=O)n3C[C@H]2C)ccc1Br
InChIInChI=1S/C39H39BrN8O3.C38H37BrN6O4.2C36H35BrN6O5/c1-25-17-27(10-15-32(25)40)37(50)46-20-34-35(36(49)41-18-28-7-4-5-8-31(28)33-9-6-16-42-43-33)48(38(51)47(34)19-26(46)2)30-13-11-29(12-14-30)45-23-39(24-45)21-44(3)22-39;1-24-18-26(8-13-31(24)39)36(47)43-21-33-34(35(46)41-19-27-6-4-5-7-30(27)32-14-17-40-23-42-32)45(37(48)44(33)20-25(43)2)28-9-11-29(12-10-28)49-22-38(3)15-16-38;2*1-22-17-25(9-14-30(22)37)35(46)41-20-31-32(34(45)40-18-26-7-4-5-8-29(26)33-38-15-6-16-39-33)43(36(47)42(31)19-23(41)2)27-10-12-28(13-11-27)48-21-24(3)44/h4-17,26H,18-24H2,1-3H3,(H,41,49);4-14,17-18,23,25H,15-16,19-22H2,1-3H3,(H,41,46);2*4-17,23-24,44H,18-21H2,1-3H3,(H,40,45)/t26-;25-;23-,24+;23-,24-/m1001/s1
InChIKeyUXHXAXYDXWQPLT-TWODLBGESA-N
XLogP21.02
TPSA483.11 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds34
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002892.59
LogP ≤ 521.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze (6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-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)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(1-methylcyclopropyl)methoxy]phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-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]-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-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)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(1-methylcyclopropyl)methoxy]phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-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]-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of (6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-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)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(1-methylcyclopropyl)methoxy]phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-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]-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 165079666) is (6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-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)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(1-methylcyclopropyl)methoxy]phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-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]-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-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-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-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)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(1-methylcyclopropyl)methoxy]phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-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]-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for (6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-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)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(1-methylcyclopropyl)methoxy]phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-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]-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4cccnn4)n(-c4ccc(N5CC6(CN(C)C6)C5)cc4)c(=O)n3C[C@H]2C)ccc1Br.Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ccncn4)n(-c4ccc(OCC5(C)CC5)cc4)c(=O)n3C[C@@H]2C)ccc1Br.Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ncccn4)n(-c4ccc(OC[C@@H](C)O)cc4)c(=O)n3C[C@@H]2C)ccc1Br.Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ncccn4)n(-c4ccc(OC[C@@H](C)O)cc4)c(=O)n3C[C@H]2C)ccc1Br.
What is the InChIKey of (6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-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)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(1-methylcyclopropyl)methoxy]phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-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]-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is UXHXAXYDXWQPLT-TWODLBGESA-N. The full InChI is InChI=1S/C39H39BrN8O3.C38H37BrN6O4.2C36H35BrN6O5/c1-25-17-27(10-15-32(25)40)37(50)46-20-34-35(36(49)41-18-28-7-4-5-8-31(28)33-9-6-16-42-43-33)48(38(51)47(34)19-26(46)2)30-13-11-29(12-14-30)45-23-39(24-45)21-44(3)22-39;1-24-18-26(8-13-31(24)39)36(47)43-21-33-34(35(46)41-19-27-6-4-5-7-30(27)32-14-17-40-23-42-32)45(37(48)44(33)20-25(43)2)28-9-11-29(12-10-28)49-22-38(3)15-16-38;2*1-22-17-25(9-14-30(22)37)35(46)41-20-31-32(34(45)40-18-26-7-4-5-8-29(26)33-38-15-6-16-39-33)43(36(47)42(31)19-23(41)2)27-10-12-28(13-11-27)48-21-24(3)44/h4-17,26H,18-24H2,1-3H3,(H,41,49);4-14,17-18,23,25H,15-16,19-22H2,1-3H3,(H,41,46);2*4-17,23-24,44H,18-21H2,1-3H3,(H,40,45)/t26-;25-;23-,24+;23-,24-/m1001/s1.
What are the key properties of (6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-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)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(1-methylcyclopropyl)methoxy]phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-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]-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
(6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-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)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(1-methylcyclopropyl)methoxy]phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-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]-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 2892.59 g/mol, XLogP of 21.02, 34 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7-(4-bromo-3-methylbenzoyl)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-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)-2-[4-[(2R)-2-hydroxypropoxy]phenyl]-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-2-[4-[(1-methylcyclopropyl)methoxy]phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-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]-3-oxo-N-[(2-pyridazin-3-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 165079666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).