N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C26H34N6O2 — CID 66932216

About N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 66932216) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 66932216
• Molecular Formula: C26H34N6O2
• Molecular Weight: 462.60 g/mol
• Exact Mass: 462.27
• IUPAC Name: N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: CNC(=O)C(NC(=O)c1nc(-c2ccccc2)n2c1CN(Cc1cccn1C)CC2)C(C)(C)C
• InChI: InChI=1S/C26H34N6O2/c1-26(2,3)22(25(34)27-4)29-24(33)21-20-17-31(16-19-12-9-13-30(19)5)14-15-32(20)23(28-21)18-10-7-6-8-11-18/h6-13,22H,14-17H2,1-5H3,(H,27,34)(H,29,33)
• InChIKey: QKUSCZNGNYXJBX-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 84.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.60
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The IUPAC name of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 66932216) is N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

What is the SMILES notation for N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The canonical SMILES for N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CNC(=O)C(NC(=O)c1nc(-c2ccccc2)n2c1CN(Cc1cccn1C)CC2)C(C)(C)C.

What is the InChIKey of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is QKUSCZNGNYXJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-26(2,3)22(25(34)27-4)29-24(33)21-20-17-31(16-19-12-9-13-30(19)5)14-15-32(20)23(28-21)18-10-7-6-8-11-18/h6-13,22H,14-17H2,1-5H3,(H,27,34)(H,29,33).

What are the key properties of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 462.60 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 66932216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).