1-[(4-methylphenyl)methyl]-N-[5-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]pyrazole-4-carboxamide

C32H35N7O3 — CID 66854528

About 1-[(4-methylphenyl)methyl]-N-[5-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]pyrazole-4-carboxamide

1-[(4-methylphenyl)methyl]-N-[5-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]pyrazole-4-carboxamide (PubChem CID 66854528) has the molecular formula C32H35N7O3 and a molecular weight of 565.68 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-N-[5-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-methylphenyl)methyl]-N-[5-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]pyrazole-4-carboxamide
• PubChem CID: 66854528
• Molecular Formula: C32H35N7O3
• Molecular Weight: 565.68 g/mol
• Exact Mass: 565.28
• IUPAC Name: 1-[(4-methylphenyl)methyl]-N-[5-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]pyrazole-4-carboxamide
• SMILES: Cc1ccc(Cn2cc(C(=O)Nc3c[nH]c(=O)c(-c4cc5cc(OCCN6CCN(C)CC6)ccc5[nH]4)c3)cn2)cc1
• InChI: InChI=1S/C32H35N7O3/c1-22-3-5-23(6-4-22)20-39-21-25(18-34-39)31(40)35-26-17-28(32(41)33-19-26)30-16-24-15-27(7-8-29(24)36-30)42-14-13-38-11-9-37(2)10-12-38/h3-8,15-19,21,36H,9-14,20H2,1-2H3,(H,33,41)(H,35,40)
• InChIKey: VLWMDNIUPVQXJE-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 111.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.68
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-N-[5-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]pyrazole-4-carboxamide?

The IUPAC name of 1-[(4-methylphenyl)methyl]-N-[5-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]pyrazole-4-carboxamide (CID 66854528) is 1-[(4-methylphenyl)methyl]-N-[5-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]pyrazole-4-carboxamide.

What is the SMILES notation for 1-[(4-methylphenyl)methyl]-N-[5-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]pyrazole-4-carboxamide?

The canonical SMILES for 1-[(4-methylphenyl)methyl]-N-[5-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]pyrazole-4-carboxamide is Cc1ccc(Cn2cc(C(=O)Nc3c[nH]c(=O)c(-c4cc5cc(OCCN6CCN(C)CC6)ccc5[nH]4)c3)cn2)cc1.

What is the InChIKey of 1-[(4-methylphenyl)methyl]-N-[5-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]pyrazole-4-carboxamide?

The InChIKey is VLWMDNIUPVQXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N7O3/c1-22-3-5-23(6-4-22)20-39-21-25(18-34-39)31(40)35-26-17-28(32(41)33-19-26)30-16-24-15-27(7-8-29(24)36-30)42-14-13-38-11-9-37(2)10-12-38/h3-8,15-19,21,36H,9-14,20H2,1-2H3,(H,33,41)(H,35,40).

What are the key properties of 1-[(4-methylphenyl)methyl]-N-[5-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]pyrazole-4-carboxamide?

1-[(4-methylphenyl)methyl]-N-[5-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]pyrazole-4-carboxamide has a molecular weight of 565.68 g/mol, XLogP of 3.95, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-methylphenyl)methyl]-N-[5-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 66854528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).