(6S)-N-[[2-(2-aminopyrimidin-4-yl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C35H31BrClN7O4 — CID 164739234

About (6S)-N-[[2-(2-aminopyrimidin-4-yl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

(6S)-N-[[2-(2-aminopyrimidin-4-yl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 164739234) has the molecular formula C35H31BrClN7O4 and a molecular weight of 729.04 g/mol. Its IUPAC name is (6S)-N-[[2-(2-aminopyrimidin-4-yl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-[[2-(2-aminopyrimidin-4-yl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 164739234
• Molecular Formula: C35H31BrClN7O4
• Molecular Weight: 729.04 g/mol
• Exact Mass: 727.13
• IUPAC Name: (6S)-N-[[2-(2-aminopyrimidin-4-yl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: C[C@H]1Cn2c(c(C(=O)NCc3ccccc3-c3ccnc(N)n3)n(-c3ccc(OC4CC4)cc3)c2=O)CN1C(=O)c1ccc(Br)c(Cl)c1
• InChI: InChI=1S/C35H31BrClN7O4/c1-20-18-43-30(19-42(20)33(46)21-6-13-27(36)28(37)16-21)31(44(35(43)47)23-7-9-24(10-8-23)48-25-11-12-25)32(45)40-17-22-4-2-3-5-26(22)29-14-15-39-34(38)41-29/h2-10,13-16,20,25H,11-12,17-19H2,1H3,(H,40,45)(H2,38,39,41)/t20-/m0/s1
• InChIKey: QMHGMDGEJYGZDK-FQEVSTJZSA-N
• XLogP: 5.61
• TPSA: 137.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.04
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[[2-(2-aminopyrimidin-4-yl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The IUPAC name of (6S)-N-[[2-(2-aminopyrimidin-4-yl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 164739234) is (6S)-N-[[2-(2-aminopyrimidin-4-yl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

What is the SMILES notation for (6S)-N-[[2-(2-aminopyrimidin-4-yl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The canonical SMILES for (6S)-N-[[2-(2-aminopyrimidin-4-yl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is C[C@H]1Cn2c(c(C(=O)NCc3ccccc3-c3ccnc(N)n3)n(-c3ccc(OC4CC4)cc3)c2=O)CN1C(=O)c1ccc(Br)c(Cl)c1.

What is the InChIKey of (6S)-N-[[2-(2-aminopyrimidin-4-yl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is QMHGMDGEJYGZDK-FQEVSTJZSA-N. The full InChI is InChI=1S/C35H31BrClN7O4/c1-20-18-43-30(19-42(20)33(46)21-6-13-27(36)28(37)16-21)31(44(35(43)47)23-7-9-24(10-8-23)48-25-11-12-25)32(45)40-17-22-4-2-3-5-26(22)29-14-15-39-34(38)41-29/h2-10,13-16,20,25H,11-12,17-19H2,1H3,(H,40,45)(H2,38,39,41)/t20-/m0/s1.

What are the key properties of (6S)-N-[[2-(2-aminopyrimidin-4-yl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

(6S)-N-[[2-(2-aminopyrimidin-4-yl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 729.04 g/mol, XLogP of 5.61, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-[[2-(2-aminopyrimidin-4-yl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 164739234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).