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

C35H34F3N5O4 — CID 58630093

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

4-[1-[4-methoxy-2-(4-phenylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide (PubChem CID 58630093) has the molecular formula C35H34F3N5O4 and a molecular weight of 645.68 g/mol. Its IUPAC name is 4-[1-[4-methoxy-2-(4-phenylpiperidine-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-(4-phenylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
• PubChem CID: 58630093
• Molecular Formula: C35H34F3N5O4
• Molecular Weight: 645.68 g/mol
• Exact Mass: 645.26
• IUPAC Name: 4-[1-[4-methoxy-2-(4-phenylpiperidine-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)N2CCC(c3ccccc3)CC2)c1
• InChI: InChI=1S/C35H34F3N5O4/c1-40(2)32(44)24-9-11-25(12-10-24)42-20-17-27-30(34(42)46)43(39-31(27)35(36,37)38)29-14-13-26(47-3)21-28(29)33(45)41-18-15-23(16-19-41)22-7-5-4-6-8-22/h4-14,21,23H,15-20H2,1-3H3
• InChIKey: IRCUHMSAGGPVTP-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 87.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.68
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-methoxy-2-(4-phenylpiperidine-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-(4-phenylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide (CID 58630093) is 4-[1-[4-methoxy-2-(4-phenylpiperidine-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-(4-phenylpiperidine-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-(4-phenylpiperidine-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)N2CCC(c3ccccc3)CC2)c1.

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

The InChIKey is IRCUHMSAGGPVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34F3N5O4/c1-40(2)32(44)24-9-11-25(12-10-24)42-20-17-27-30(34(42)46)43(39-31(27)35(36,37)38)29-14-13-26(47-3)21-28(29)33(45)41-18-15-23(16-19-41)22-7-5-4-6-8-22/h4-14,21,23H,15-20H2,1-3H3.

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

4-[1-[4-methoxy-2-(4-phenylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide has a molecular weight of 645.68 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[4-methoxy-2-(4-phenylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 58630093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).