1-(4-methylphenyl)-6-[4-[2-[[methyl(propanoyl)amino]methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C28H29N7O3 — CID 20872126

About 1-(4-methylphenyl)-6-[4-[2-[[methyl(propanoyl)amino]methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-(4-methylphenyl)-6-[4-[2-[[methyl(propanoyl)amino]methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 20872126) has the molecular formula C28H29N7O3 and a molecular weight of 511.59 g/mol. Its IUPAC name is 1-(4-methylphenyl)-6-[4-[2-[[methyl(propanoyl)amino]methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-methylphenyl)-6-[4-[2-[[methyl(propanoyl)amino]methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 20872126
• Molecular Formula: C28H29N7O3
• Molecular Weight: 511.59 g/mol
• Exact Mass: 511.23
• IUPAC Name: 1-(4-methylphenyl)-6-[4-[2-[[methyl(propanoyl)amino]methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: CCC(=O)N(C)Cc1nccn1-c1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(C)cc4)c3C2=O)cc1
• InChI: InChI=1S/C28H29N7O3/c1-4-24(36)32(3)17-23-30-14-16-33(23)19-9-11-20(12-10-19)34-15-13-22-25(27(29)37)31-35(26(22)28(34)38)21-7-5-18(2)6-8-21/h5-12,14,16H,4,13,15,17H2,1-3H3,(H2,29,37)
• InChIKey: BXEABFFZAJARIA-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 119.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.59
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-6-[4-[2-[[methyl(propanoyl)amino]methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of 1-(4-methylphenyl)-6-[4-[2-[[methyl(propanoyl)amino]methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 20872126) is 1-(4-methylphenyl)-6-[4-[2-[[methyl(propanoyl)amino]methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-(4-methylphenyl)-6-[4-[2-[[methyl(propanoyl)amino]methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for 1-(4-methylphenyl)-6-[4-[2-[[methyl(propanoyl)amino]methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is CCC(=O)N(C)Cc1nccn1-c1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(C)cc4)c3C2=O)cc1.

What is the InChIKey of 1-(4-methylphenyl)-6-[4-[2-[[methyl(propanoyl)amino]methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is BXEABFFZAJARIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O3/c1-4-24(36)32(3)17-23-30-14-16-33(23)19-9-11-20(12-10-19)34-15-13-22-25(27(29)37)31-35(26(22)28(34)38)21-7-5-18(2)6-8-21/h5-12,14,16H,4,13,15,17H2,1-3H3,(H2,29,37).

What are the key properties of 1-(4-methylphenyl)-6-[4-[2-[[methyl(propanoyl)amino]methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

1-(4-methylphenyl)-6-[4-[2-[[methyl(propanoyl)amino]methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 511.59 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methylphenyl)-6-[4-[2-[[methyl(propanoyl)amino]methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 20872126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).