(6S)-7-(4-bromo-3-methylbenzoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C35H35BrClFN6O3 — CID 165063548

About (6S)-7-(4-bromo-3-methylbenzoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

(6S)-7-(4-bromo-3-methylbenzoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 165063548) has the molecular formula C35H35BrClFN6O3 and a molecular weight of 722.06 g/mol. Its IUPAC name is (6S)-7-(4-bromo-3-methylbenzoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: (6S)-7-(4-bromo-3-methylbenzoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 165063548
• Molecular Formula: C35H35BrClFN6O3
• Molecular Weight: 722.06 g/mol
• Exact Mass: 720.16
• IUPAC Name: (6S)-7-(4-bromo-3-methylbenzoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: Cc1cc(C(=O)N2Cc3c(C(=O)NCc4c(F)cccc4Cl)n(-c4ccc(N5CC6(CN(C)C6)C5)cc4)c(=O)n3C[C@@H]2C)ccc1Br
• InChI: InChI=1S/C35H35BrClFN6O3/c1-21-13-23(7-12-27(21)36)33(46)42-16-30-31(32(45)39-14-26-28(37)5-4-6-29(26)38)44(34(47)43(30)15-22(42)2)25-10-8-24(9-11-25)41-19-35(20-41)17-40(3)18-35/h4-13,22H,14-20H2,1-3H3,(H,39,45)/t22-/m0/s1
• InChIKey: RPEQJGTXBBIWEN-QFIPXVFZSA-N
• XLogP: 5.23
• TPSA: 82.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.06
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6S)-7-(4-bromo-3-methylbenzoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The IUPAC name of (6S)-7-(4-bromo-3-methylbenzoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 165063548) is (6S)-7-(4-bromo-3-methylbenzoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-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)-N-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The canonical SMILES for (6S)-7-(4-bromo-3-methylbenzoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is Cc1cc(C(=O)N2Cc3c(C(=O)NCc4c(F)cccc4Cl)n(-c4ccc(N5CC6(CN(C)C6)C5)cc4)c(=O)n3C[C@@H]2C)ccc1Br.

What is the InChIKey of (6S)-7-(4-bromo-3-methylbenzoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is RPEQJGTXBBIWEN-QFIPXVFZSA-N. The full InChI is InChI=1S/C35H35BrClFN6O3/c1-21-13-23(7-12-27(21)36)33(46)42-16-30-31(32(45)39-14-26-28(37)5-4-6-29(26)38)44(34(47)43(30)15-22(42)2)25-10-8-24(9-11-25)41-19-35(20-41)17-40(3)18-35/h4-13,22H,14-20H2,1-3H3,(H,39,45)/t22-/m0/s1.

What are the key properties of (6S)-7-(4-bromo-3-methylbenzoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

(6S)-7-(4-bromo-3-methylbenzoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 722.06 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-7-(4-bromo-3-methylbenzoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 165063548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).