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

C35H30BrClFN7O4 — CID 164739151

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

(6R)-N-[[2-(4-aminopyrimidin-2-yl)-6-fluorophenyl]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 164739151) has the molecular formula C35H30BrClFN7O4 and a molecular weight of 747.03 g/mol. Its IUPAC name is (6R)-N-[[2-(4-aminopyrimidin-2-yl)-6-fluorophenyl]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: (6R)-N-[[2-(4-aminopyrimidin-2-yl)-6-fluorophenyl]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: 164739151
• Molecular Formula: C35H30BrClFN7O4
• Molecular Weight: 747.03 g/mol
• Exact Mass: 745.12
• IUPAC Name: (6R)-N-[[2-(4-aminopyrimidin-2-yl)-6-fluorophenyl]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)NCc3c(F)cccc3-c3nccc(N)n3)n(-c3ccc(OC4CC4)cc3)c2=O)CN1C(=O)c1ccc(Br)c(Cl)c1
• InChI: InChI=1S/C35H30BrClFN7O4/c1-19-17-44-29(18-43(19)34(47)20-5-12-26(36)27(37)15-20)31(45(35(44)48)21-6-8-22(9-7-21)49-23-10-11-23)33(46)41-16-25-24(3-2-4-28(25)38)32-40-14-13-30(39)42-32/h2-9,12-15,19,23H,10-11,16-18H2,1H3,(H,41,46)(H2,39,40,42)/t19-/m1/s1
• InChIKey: TWCPYJSMAUPNGL-LJQANCHMSA-N
• XLogP: 5.75
• TPSA: 137.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.03
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[[2-(4-aminopyrimidin-2-yl)-6-fluorophenyl]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 (6R)-N-[[2-(4-aminopyrimidin-2-yl)-6-fluorophenyl]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 164739151) is (6R)-N-[[2-(4-aminopyrimidin-2-yl)-6-fluorophenyl]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 (6R)-N-[[2-(4-aminopyrimidin-2-yl)-6-fluorophenyl]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 (6R)-N-[[2-(4-aminopyrimidin-2-yl)-6-fluorophenyl]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)NCc3c(F)cccc3-c3nccc(N)n3)n(-c3ccc(OC4CC4)cc3)c2=O)CN1C(=O)c1ccc(Br)c(Cl)c1.

What is the InChIKey of (6R)-N-[[2-(4-aminopyrimidin-2-yl)-6-fluorophenyl]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 TWCPYJSMAUPNGL-LJQANCHMSA-N. The full InChI is InChI=1S/C35H30BrClFN7O4/c1-19-17-44-29(18-43(19)34(47)20-5-12-26(36)27(37)15-20)31(45(35(44)48)21-6-8-22(9-7-21)49-23-10-11-23)33(46)41-16-25-24(3-2-4-28(25)38)32-40-14-13-30(39)42-32/h2-9,12-15,19,23H,10-11,16-18H2,1H3,(H,41,46)(H2,39,40,42)/t19-/m1/s1.

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

(6R)-N-[[2-(4-aminopyrimidin-2-yl)-6-fluorophenyl]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 747.03 g/mol, XLogP of 5.75, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N-[[2-(4-aminopyrimidin-2-yl)-6-fluorophenyl]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 164739151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).