4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide

C34H32F4N6O4 — CID 58630104

About 4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide

4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide (PubChem CID 58630104) has the molecular formula C34H32F4N6O4 and a molecular weight of 664.66 g/mol. Its IUPAC name is 4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
• PubChem CID: 58630104
• Molecular Formula: C34H32F4N6O4
• Molecular Weight: 664.66 g/mol
• Exact Mass: 664.24
• IUPAC Name: 4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-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)N2CCN(c3ccc(F)cc3)CC2)c1
• InChI: InChI=1S/C34H32F4N6O4/c1-40(2)31(45)21-4-8-24(9-5-21)43-15-14-26-29(33(43)47)44(39-30(26)34(36,37)38)28-13-12-25(48-3)20-27(28)32(46)42-18-16-41(17-19-42)23-10-6-22(35)7-11-23/h4-13,20H,14-19H2,1-3H3
• InChIKey: KSGVRAQEKVKPJU-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 91.22 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	664.66
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide (CID 58630104) is 4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide.

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

The canonical SMILES for 4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-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)N2CCN(c3ccc(F)cc3)CC2)c1.

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

The InChIKey is KSGVRAQEKVKPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F4N6O4/c1-40(2)31(45)21-4-8-24(9-5-21)43-15-14-26-29(33(43)47)44(39-30(26)34(36,37)38)28-13-12-25(48-3)20-27(28)32(46)42-18-16-41(17-19-42)23-10-6-22(35)7-11-23/h4-13,20H,14-19H2,1-3H3.

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

4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide has a molecular weight of 664.66 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 58630104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).