6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide

C31H34N8O2 — CID 163257002

About 6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide

6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 163257002) has the molecular formula C31H34N8O2 and a molecular weight of 550.67 g/mol. Its IUPAC name is 6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 163257002
• Molecular Formula: C31H34N8O2
• Molecular Weight: 550.67 g/mol
• Exact Mass: 550.28
• IUPAC Name: 6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: CC1Cn2c(c(C(=O)NCc3ccccc3-c3ccncn3)n(-c3ccc(N4CC5(CN(C)C5)C4)cc3)c2=O)CN1
• InChI: InChI=1S/C31H34N8O2/c1-21-15-38-27(14-33-21)28(29(40)34-13-22-5-3-4-6-25(22)26-11-12-32-20-35-26)39(30(38)41)24-9-7-23(8-10-24)37-18-31(19-37)16-36(2)17-31/h3-12,20-21,33H,13-19H2,1-2H3,(H,34,40)
• InChIKey: LOUDHBTWMCPDNF-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 100.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.67
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	2
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 6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?

The IUPAC name of 6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide (CID 163257002) is 6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide.

What is the SMILES notation for 6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?

The canonical SMILES for 6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide is CC1Cn2c(c(C(=O)NCc3ccccc3-c3ccncn3)n(-c3ccc(N4CC5(CN(C)C5)C4)cc3)c2=O)CN1.

What is the InChIKey of 6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is LOUDHBTWMCPDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N8O2/c1-21-15-38-27(14-33-21)28(29(40)34-13-22-5-3-4-6-25(22)26-11-12-32-20-35-26)39(30(38)41)24-9-7-23(8-10-24)37-18-31(19-37)16-36(2)17-31/h3-12,20-21,33H,13-19H2,1-2H3,(H,34,40).

What are the key properties of 6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?

6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 550.67 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-2-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 163257002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).