2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide

C32H31F3N6O4 — CID 58630190

About 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide

2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 58630190) has the molecular formula C32H31F3N6O4 and a molecular weight of 620.63 g/mol. Its IUPAC name is 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide
• PubChem CID: 58630190
• Molecular Formula: C32H31F3N6O4
• Molecular Weight: 620.63 g/mol
• Exact Mass: 620.24
• IUPAC Name: 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide
• SMILES: CCN(Cc1ccncc1)C(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(C(=O)N(C)C)cc1)CC2
• InChI: InChI=1S/C32H31F3N6O4/c1-5-39(19-20-12-15-36-16-13-20)30(43)25-18-23(45-4)10-11-26(25)41-27-24(28(37-41)32(33,34)35)14-17-40(31(27)44)22-8-6-21(7-9-22)29(42)38(2)3/h6-13,15-16,18H,5,14,17,19H2,1-4H3
• InChIKey: IBMQEFMPLYZXJD-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 100.87 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	620.63
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide (CID 58630190) is 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide.

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

The canonical SMILES for 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide is CCN(Cc1ccncc1)C(=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 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide?

The InChIKey is IBMQEFMPLYZXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F3N6O4/c1-5-39(19-20-12-15-36-16-13-20)30(43)25-18-23(45-4)10-11-26(25)41-27-24(28(37-41)32(33,34)35)14-17-40(31(27)44)22-8-6-21(7-9-22)29(42)38(2)3/h6-13,15-16,18H,5,14,17,19H2,1-4H3.

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

2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 620.63 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 58630190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).