(6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]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

C40H43BrN8O3 — CID 164971007

About (6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]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

(6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]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 164971007) has the molecular formula C40H43BrN8O3 and a molecular weight of 763.74 g/mol. Its IUPAC name is (6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]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: (6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]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: 164971007
• Molecular Formula: C40H43BrN8O3
• Molecular Weight: 763.74 g/mol
• Exact Mass: 762.26
• IUPAC Name: (6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]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: CCn1ccc(-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
• InChI: InChI=1S/C40H43BrN8O3/c1-5-46-17-16-34(43-46)32-9-7-6-8-29(32)19-42-37(50)36-35-21-47(38(51)28-10-15-33(41)26(2)18-28)27(3)20-48(35)39(52)49(36)31-13-11-30(12-14-31)45-24-40(25-45)22-44(4)23-40/h6-18,27H,5,19-25H2,1-4H3,(H,42,50)/t27-/m1/s1
• InChIKey: DCTBLKUXUXDJOO-HHHXNRCGSA-N
• XLogP: 5.32
• TPSA: 100.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.74
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]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 (6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]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 164971007) is (6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]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 (6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]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 (6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]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 CCn1ccc(-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 (6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]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 DCTBLKUXUXDJOO-HHHXNRCGSA-N. The full InChI is InChI=1S/C40H43BrN8O3/c1-5-46-17-16-34(43-46)32-9-7-6-8-29(32)19-42-37(50)36-35-21-47(38(51)28-10-15-33(41)26(2)18-28)27(3)20-48(35)39(52)49(36)31-13-11-30(12-14-31)45-24-40(25-45)22-44(4)23-40/h6-18,27H,5,19-25H2,1-4H3,(H,42,50)/t27-/m1/s1.

What are the key properties of (6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]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?

(6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]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 763.74 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-7-(4-bromo-3-methylbenzoyl)-N-[[2-(1-ethylpyrazol-3-yl)phenyl]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 164971007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).