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;2,2,2-trifluoroacetic acid

C33H35F3N8O4 — CID 172693274

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;2,2,2-trifluoroacetic acid

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;2,2,2-trifluoroacetic acid (PubChem CID 172693274) has the molecular formula C33H35F3N8O4 and a molecular weight of 664.69 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;2,2,2-trifluoroacetic acid.

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;2,2,2-trifluoroacetic acid
• PubChem CID: 172693274
• Molecular Formula: C33H35F3N8O4
• Molecular Weight: 664.69 g/mol
• Exact Mass: 664.27
• 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;2,2,2-trifluoroacetic acid
• SMILES: CC1Cn2c(c(C(=O)NCc3ccccc3-c3ccncn3)n(-c3ccc(N4CC5(CN(C)C5)C4)cc3)c2=O)CN1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C31H34N8O2.C2HF3O2/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;3-2(4,5)1(6)7/h3-12,20-21,33H,13-19H2,1-2H3,(H,34,40);(H,6,7)
• InChIKey: BYWIOCNIZRBFOB-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 137.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	664.69
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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;2,2,2-trifluoroacetic acid?

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;2,2,2-trifluoroacetic acid (CID 172693274) 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;2,2,2-trifluoroacetic acid.

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;2,2,2-trifluoroacetic acid?

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;2,2,2-trifluoroacetic acid is CC1Cn2c(c(C(=O)NCc3ccccc3-c3ccncn3)n(-c3ccc(N4CC5(CN(C)C5)C4)cc3)c2=O)CN1.O=C(O)C(F)(F)F.

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;2,2,2-trifluoroacetic acid?

The InChIKey is BYWIOCNIZRBFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N8O2.C2HF3O2/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;3-2(4,5)1(6)7/h3-12,20-21,33H,13-19H2,1-2H3,(H,34,40);(H,6,7).

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;2,2,2-trifluoroacetic acid?

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;2,2,2-trifluoroacetic acid has a molecular weight of 664.69 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 10 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;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172693274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).