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

C34H40N7O4+ — CID 87370812

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

4-methoxy-N-[2-methoxy-4-[4-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide (PubChem CID 87370812) has the molecular formula C34H40N7O4+ and a molecular weight of 610.74 g/mol. Its IUPAC name is 4-methoxy-N-[2-methoxy-4-[4-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[2-methoxy-4-[4-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide
• PubChem CID: 87370812
• Molecular Formula: C34H40N7O4+
• Molecular Weight: 610.74 g/mol
• Exact Mass: 610.31
• IUPAC Name: 4-methoxy-N-[2-methoxy-4-[4-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide
• SMILES: COc1cc(C2=NC(N3CCC(N4CCOCC4)CC3)=C3C=NC=C[N+]23C)ccc1NC(=O)c1cc2c(OC)cccc2n1C
• InChI: InChI=1S/C34H39N7O4/c1-38-27-6-5-7-30(43-3)25(27)21-28(38)34(42)36-26-9-8-23(20-31(26)44-4)33-37-32(29-22-35-12-17-41(29,33)2)40-13-10-24(11-14-40)39-15-18-45-19-16-39/h5-9,12,17,20-22,24H,10-11,13-16,18-19H2,1-4H3/p+1
• InChIKey: IUFUBOOEGYWLDZ-UHFFFAOYSA-O
• XLogP: 4.18
• TPSA: 92.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.74
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-methoxy-N-[2-methoxy-4-[4-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide (CID 87370812) is 4-methoxy-N-[2-methoxy-4-[4-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide.

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

The canonical SMILES for 4-methoxy-N-[2-methoxy-4-[4-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide is COc1cc(C2=NC(N3CCC(N4CCOCC4)CC3)=C3C=NC=C[N+]23C)ccc1NC(=O)c1cc2c(OC)cccc2n1C.

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

The InChIKey is IUFUBOOEGYWLDZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C34H39N7O4/c1-38-27-6-5-7-30(43-3)25(27)21-28(38)34(42)36-26-9-8-23(20-31(26)44-4)33-37-32(29-22-35-12-17-41(29,33)2)40-13-10-24(11-14-40)39-15-18-45-19-16-39/h5-9,12,17,20-22,24H,10-11,13-16,18-19H2,1-4H3/p+1.

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

4-methoxy-N-[2-methoxy-4-[4-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide has a molecular weight of 610.74 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[2-methoxy-4-[4-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 87370812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).