6-methoxy-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1H-indazole-3-carboxamide

C34H40N8O3 — CID 53346066

About 6-methoxy-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1H-indazole-3-carboxamide

6-methoxy-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1H-indazole-3-carboxamide (PubChem CID 53346066) has the molecular formula C34H40N8O3 and a molecular weight of 608.75 g/mol. Its IUPAC name is 6-methoxy-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 6-methoxy-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1H-indazole-3-carboxamide
• PubChem CID: 53346066
• Molecular Formula: C34H40N8O3
• Molecular Weight: 608.75 g/mol
• Exact Mass: 608.32
• IUPAC Name: 6-methoxy-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1H-indazole-3-carboxamide
• SMILES: COc1ccc2c(C(=O)Nc3ccc(-c4nc(C5CCC(N6CCN(C)CC6)CC5)n5ccnc(C)c45)cc3OC)n[nH]c2c1
• InChI: InChI=1S/C34H40N8O3/c1-21-32-30(37-33(42(32)14-13-35-21)22-5-8-24(9-6-22)41-17-15-40(2)16-18-41)23-7-12-27(29(19-23)45-4)36-34(43)31-26-11-10-25(44-3)20-28(26)38-39-31/h7,10-14,19-20,22,24H,5-6,8-9,15-18H2,1-4H3,(H,36,43)(H,38,39)
• InChIKey: OEQFRUONGQLBRL-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 112.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.75
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1H-indazole-3-carboxamide?

The IUPAC name of 6-methoxy-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1H-indazole-3-carboxamide (CID 53346066) is 6-methoxy-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 6-methoxy-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1H-indazole-3-carboxamide?

The canonical SMILES for 6-methoxy-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1H-indazole-3-carboxamide is COc1ccc2c(C(=O)Nc3ccc(-c4nc(C5CCC(N6CCN(C)CC6)CC5)n5ccnc(C)c45)cc3OC)n[nH]c2c1.

What is the InChIKey of 6-methoxy-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1H-indazole-3-carboxamide?

The InChIKey is OEQFRUONGQLBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N8O3/c1-21-32-30(37-33(42(32)14-13-35-21)22-5-8-24(9-6-22)41-17-15-40(2)16-18-41)23-7-12-27(29(19-23)45-4)36-34(43)31-26-11-10-25(44-3)20-28(26)38-39-31/h7,10-14,19-20,22,24H,5-6,8-9,15-18H2,1-4H3,(H,36,43)(H,38,39).

What are the key properties of 6-methoxy-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1H-indazole-3-carboxamide?

6-methoxy-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1H-indazole-3-carboxamide has a molecular weight of 608.75 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 53346066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).