4-methoxy-N-[2-methoxy-4-[3-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide

C35H42N6O4 — CID 53345738

About 4-methoxy-N-[2-methoxy-4-[3-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide

4-methoxy-N-[2-methoxy-4-[3-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide (PubChem CID 53345738) has the molecular formula C35H42N6O4 and a molecular weight of 610.76 g/mol. Its IUPAC name is 4-methoxy-N-[2-methoxy-4-[3-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[2-methoxy-4-[3-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide
• PubChem CID: 53345738
• Molecular Formula: C35H42N6O4
• Molecular Weight: 610.76 g/mol
• Exact Mass: 610.33
• IUPAC Name: 4-methoxy-N-[2-methoxy-4-[3-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide
• SMILES: COCCN(C)C1CCC(c2nc(-c3ccc(NC(=O)c4cc5c(OC)cccc5n4C)c(OC)c3)c3c(C)nccn23)CC1
• InChI: InChI=1S/C35H42N6O4/c1-22-33-32(38-34(41(33)17-16-36-22)23-10-13-25(14-11-23)39(2)18-19-43-4)24-12-15-27(31(20-24)45-6)37-35(42)29-21-26-28(40(29)3)8-7-9-30(26)44-5/h7-9,12,15-17,20-21,23,25H,10-11,13-14,18-19H2,1-6H3,(H,37,42)
• InChIKey: PXLIDGFWJOERTP-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 95.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.76
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-methoxy-4-[3-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide?

The IUPAC name of 4-methoxy-N-[2-methoxy-4-[3-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide (CID 53345738) is 4-methoxy-N-[2-methoxy-4-[3-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide.

What is the SMILES notation for 4-methoxy-N-[2-methoxy-4-[3-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide?

The canonical SMILES for 4-methoxy-N-[2-methoxy-4-[3-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide is COCCN(C)C1CCC(c2nc(-c3ccc(NC(=O)c4cc5c(OC)cccc5n4C)c(OC)c3)c3c(C)nccn23)CC1.

What is the InChIKey of 4-methoxy-N-[2-methoxy-4-[3-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide?

The InChIKey is PXLIDGFWJOERTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N6O4/c1-22-33-32(38-34(41(33)17-16-36-22)23-10-13-25(14-11-23)39(2)18-19-43-4)24-12-15-27(31(20-24)45-6)37-35(42)29-21-26-28(40(29)3)8-7-9-30(26)44-5/h7-9,12,15-17,20-21,23,25H,10-11,13-14,18-19H2,1-6H3,(H,37,42).

What are the key properties of 4-methoxy-N-[2-methoxy-4-[3-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide?

4-methoxy-N-[2-methoxy-4-[3-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide has a molecular weight of 610.76 g/mol, XLogP of 6.07, 10 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-[3-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 53345738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).