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

C32H37F3N6O4 — CID 58630106

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

4-[1-[2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide (PubChem CID 58630106) has the molecular formula C32H37F3N6O4 and a molecular weight of 626.68 g/mol. Its IUPAC name is 4-[1-[2-[2-[(dimethylamino)methyl]piperidine-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-[(dimethylamino)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
• PubChem CID: 58630106
• Molecular Formula: C32H37F3N6O4
• Molecular Weight: 626.68 g/mol
• Exact Mass: 626.28
• IUPAC Name: 4-[1-[2-[2-[(dimethylamino)methyl]piperidine-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)N2CCCCC2CN(C)C)c1
• InChI: InChI=1S/C32H37F3N6O4/c1-37(2)19-22-8-6-7-16-39(22)30(43)25-18-23(45-5)13-14-26(25)41-27-24(28(36-41)32(33,34)35)15-17-40(31(27)44)21-11-9-20(10-12-21)29(42)38(3)4/h9-14,18,22H,6-8,15-17,19H2,1-5H3
• InChIKey: HXASAORCPMUHDO-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 91.22 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	626.68
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[2-[(dimethylamino)methyl]piperidine-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-[(dimethylamino)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide (CID 58630106) is 4-[1-[2-[2-[(dimethylamino)methyl]piperidine-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-[(dimethylamino)methyl]piperidine-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-[(dimethylamino)methyl]piperidine-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)N2CCCCC2CN(C)C)c1.

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

The InChIKey is HXASAORCPMUHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F3N6O4/c1-37(2)19-22-8-6-7-16-39(22)30(43)25-18-23(45-5)13-14-26(25)41-27-24(28(36-41)32(33,34)35)15-17-40(31(27)44)21-11-9-20(10-12-21)29(42)38(3)4/h9-14,18,22H,6-8,15-17,19H2,1-5H3.

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

4-[1-[2-[2-[(dimethylamino)methyl]piperidine-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 626.68 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[2-[2-[(dimethylamino)methyl]piperidine-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 58630106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).