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

C31H34F3N5O4 — CID 58630052

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

4-[1-[2-(2-ethylpiperidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide (PubChem CID 58630052) has the molecular formula C31H34F3N5O4 and a molecular weight of 597.64 g/mol. Its IUPAC name is 4-[1-[2-(2-ethylpiperidine-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-(2-ethylpiperidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
• PubChem CID: 58630052
• Molecular Formula: C31H34F3N5O4
• Molecular Weight: 597.64 g/mol
• Exact Mass: 597.26
• IUPAC Name: 4-[1-[2-(2-ethylpiperidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
• SMILES: CCC1CCCCN1C(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(C(=O)N(C)C)cc1)CC2
• InChI: InChI=1S/C31H34F3N5O4/c1-5-20-8-6-7-16-37(20)29(41)24-18-22(43-4)13-14-25(24)39-26-23(27(35-39)31(32,33)34)15-17-38(30(26)42)21-11-9-19(10-12-21)28(40)36(2)3/h9-14,18,20H,5-8,15-17H2,1-4H3
• InChIKey: PYFSXQRYLAPVPF-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 87.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.64
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2-ethylpiperidine-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-(2-ethylpiperidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide (CID 58630052) is 4-[1-[2-(2-ethylpiperidine-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-(2-ethylpiperidine-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-(2-ethylpiperidine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide is CCC1CCCCN1C(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(C(=O)N(C)C)cc1)CC2.

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

The InChIKey is PYFSXQRYLAPVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F3N5O4/c1-5-20-8-6-7-16-37(20)29(41)24-18-22(43-4)13-14-25(24)39-26-23(27(35-39)31(32,33)34)15-17-38(30(26)42)21-11-9-19(10-12-21)28(40)36(2)3/h9-14,18,20H,5-8,15-17H2,1-4H3.

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

4-[1-[2-(2-ethylpiperidine-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 597.64 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[2-(2-ethylpiperidine-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 58630052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).