N-[2-methoxy-4-[4-methyl-1-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide

C30H33N6O2+ — CID 87372072

About N-[2-methoxy-4-[4-methyl-1-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide

N-[2-methoxy-4-[4-methyl-1-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide (PubChem CID 87372072) has the molecular formula C30H33N6O2+ and a molecular weight of 509.63 g/mol. Its IUPAC name is N-[2-methoxy-4-[4-methyl-1-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-methoxy-4-[4-methyl-1-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide
• PubChem CID: 87372072
• Molecular Formula: C30H33N6O2+
• Molecular Weight: 509.63 g/mol
• Exact Mass: 509.27
• IUPAC Name: N-[2-methoxy-4-[4-methyl-1-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide
• SMILES: COc1cc(C2=NC(C3CCN(C)CC3)=C3C=NC=C[N+]23C)ccc1NC(=O)c1cc2ccccc2n1C
• InChI: InChI=1S/C30H32N6O2/c1-34-14-11-20(12-15-34)28-26-19-31-13-16-36(26,3)29(33-28)22-9-10-23(27(18-22)38-4)32-30(37)25-17-21-7-5-6-8-24(21)35(25)2/h5-10,13,16-20H,11-12,14-15H2,1-4H3/p+1
• InChIKey: OYGXIWMCWOCOOC-UHFFFAOYSA-O
• XLogP: 4.76
• TPSA: 71.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.63
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[4-methyl-1-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide?

The IUPAC name of N-[2-methoxy-4-[4-methyl-1-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide (CID 87372072) is N-[2-methoxy-4-[4-methyl-1-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide.

What is the SMILES notation for N-[2-methoxy-4-[4-methyl-1-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide?

The canonical SMILES for N-[2-methoxy-4-[4-methyl-1-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide is COc1cc(C2=NC(C3CCN(C)CC3)=C3C=NC=C[N+]23C)ccc1NC(=O)c1cc2ccccc2n1C.

What is the InChIKey of N-[2-methoxy-4-[4-methyl-1-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide?

The InChIKey is OYGXIWMCWOCOOC-UHFFFAOYSA-O. The full InChI is InChI=1S/C30H32N6O2/c1-34-14-11-20(12-15-34)28-26-19-31-13-16-36(26,3)29(33-28)22-9-10-23(27(18-22)38-4)32-30(37)25-17-21-7-5-6-8-24(21)35(25)2/h5-10,13,16-20H,11-12,14-15H2,1-4H3/p+1.

What are the key properties of N-[2-methoxy-4-[4-methyl-1-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide?

N-[2-methoxy-4-[4-methyl-1-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide has a molecular weight of 509.63 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methoxy-4-[4-methyl-1-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 87372072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).