4-[1-[4-methoxy-2-(2-pyridin-3-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide

C34H33F3N6O4 — CID 58630149

About 4-[1-[4-methoxy-2-(2-pyridin-3-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide

4-[1-[4-methoxy-2-(2-pyridin-3-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide (PubChem CID 58630149) has the molecular formula C34H33F3N6O4 and a molecular weight of 646.67 g/mol. Its IUPAC name is 4-[1-[4-methoxy-2-(2-pyridin-3-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 4-[1-[4-methoxy-2-(2-pyridin-3-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
• PubChem CID: 58630149
• Molecular Formula: C34H33F3N6O4
• Molecular Weight: 646.67 g/mol
• Exact Mass: 646.25
• IUPAC Name: 4-[1-[4-methoxy-2-(2-pyridin-3-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
• SMILES: COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2CCCCC2c2cccnc2)c1
• InChI: InChI=1S/C34H33F3N6O4/c1-40(2)31(44)21-9-11-23(12-10-21)41-18-15-25-29(33(41)46)43(39-30(25)34(35,36)37)28-14-13-24(47-3)19-26(28)32(45)42-17-5-4-8-27(42)22-7-6-16-38-20-22/h6-7,9-14,16,19-20,27H,4-5,8,15,17-18H2,1-3H3
• InChIKey: VUDVDXKSGVQXQE-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 100.87 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.67
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-methoxy-2-(2-pyridin-3-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide?

The IUPAC name of 4-[1-[4-methoxy-2-(2-pyridin-3-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide (CID 58630149) is 4-[1-[4-methoxy-2-(2-pyridin-3-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide.

What is the SMILES notation for 4-[1-[4-methoxy-2-(2-pyridin-3-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide?

The canonical SMILES for 4-[1-[4-methoxy-2-(2-pyridin-3-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2CCCCC2c2cccnc2)c1.

What is the InChIKey of 4-[1-[4-methoxy-2-(2-pyridin-3-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide?

The InChIKey is VUDVDXKSGVQXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33F3N6O4/c1-40(2)31(44)21-9-11-23(12-10-21)41-18-15-25-29(33(41)46)43(39-30(25)34(35,36)37)28-14-13-24(47-3)19-26(28)32(45)42-17-5-4-8-27(42)22-7-6-16-38-20-22/h6-7,9-14,16,19-20,27H,4-5,8,15,17-18H2,1-3H3.

What are the key properties of 4-[1-[4-methoxy-2-(2-pyridin-3-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide?

4-[1-[4-methoxy-2-(2-pyridin-3-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide has a molecular weight of 646.67 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[4-methoxy-2-(2-pyridin-3-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 58630149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).