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

C28H30N8O4 — CID 10196404

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

6-[4-[2-[[dimethylcarbamoyl(methyl)amino]methyl]imidazol-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 10196404) has the molecular formula C28H30N8O4 and a molecular weight of 542.60 g/mol. Its IUPAC name is 6-[4-[2-[[dimethylcarbamoyl(methyl)amino]methyl]imidazol-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[2-[[dimethylcarbamoyl(methyl)amino]methyl]imidazol-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 10196404
• Molecular Formula: C28H30N8O4
• Molecular Weight: 542.60 g/mol
• Exact Mass: 542.24
• IUPAC Name: 6-[4-[2-[[dimethylcarbamoyl(methyl)amino]methyl]imidazol-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-n4ccnc4CN(C)C(=O)N(C)C)cc2)CC3)cc1
• InChI: InChI=1S/C28H30N8O4/c1-32(2)28(39)33(3)17-23-30-14-16-34(23)18-5-7-19(8-6-18)35-15-13-22-24(26(29)37)31-36(25(22)27(35)38)20-9-11-21(40-4)12-10-20/h5-12,14,16H,13,15,17H2,1-4H3,(H2,29,37)
• InChIKey: WTQJQDOWDIGYKH-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 131.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.60
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[4-[2-[[dimethylcarbamoyl(methyl)amino]methyl]imidazol-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 10196404) is 6-[4-[2-[[dimethylcarbamoyl(methyl)amino]methyl]imidazol-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

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

The canonical SMILES for 6-[4-[2-[[dimethylcarbamoyl(methyl)amino]methyl]imidazol-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-n4ccnc4CN(C)C(=O)N(C)C)cc2)CC3)cc1.

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

The InChIKey is WTQJQDOWDIGYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O4/c1-32(2)28(39)33(3)17-23-30-14-16-34(23)18-5-7-19(8-6-18)35-15-13-22-24(26(29)37)31-36(25(22)27(35)38)20-9-11-21(40-4)12-10-20/h5-12,14,16H,13,15,17H2,1-4H3,(H2,29,37).

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

6-[4-[2-[[dimethylcarbamoyl(methyl)amino]methyl]imidazol-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 542.60 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-[[dimethylcarbamoyl(methyl)amino]methyl]imidazol-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 10196404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).