3-(1-benzofuran-3-yl)-N-ethyl-N-[(2-ethyl-2-hydroxy-3-methylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide

C28H31F3N4O3 — CID 166880497

About 3-(1-benzofuran-3-yl)-N-ethyl-N-[(2-ethyl-2-hydroxy-3-methylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide

3-(1-benzofuran-3-yl)-N-ethyl-N-[(2-ethyl-2-hydroxy-3-methylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide (PubChem CID 166880497) has the molecular formula C28H31F3N4O3 and a molecular weight of 528.58 g/mol. Its IUPAC name is 3-(1-benzofuran-3-yl)-N-ethyl-N-[(2-ethyl-2-hydroxy-3-methylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-(1-benzofuran-3-yl)-N-ethyl-N-[(2-ethyl-2-hydroxy-3-methylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide
• PubChem CID: 166880497
• Molecular Formula: C28H31F3N4O3
• Molecular Weight: 528.58 g/mol
• Exact Mass: 528.23
• IUPAC Name: 3-(1-benzofuran-3-yl)-N-ethyl-N-[(2-ethyl-2-hydroxy-3-methylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide
• SMILES: CCN(CC1CCC(C)C1(O)CC)C(=O)c1cc2c(cn1)c(-c1coc3ccccc13)nn2CC(F)(F)F
• InChI: InChI=1S/C28H31F3N4O3/c1-4-27(37)17(3)10-11-18(27)14-34(5-2)26(36)22-12-23-20(13-32-22)25(33-35(23)16-28(29,30)31)21-15-38-24-9-7-6-8-19(21)24/h6-9,12-13,15,17-18,37H,4-5,10-11,14,16H2,1-3H3
• InChIKey: ILOPJCCHRNWMTJ-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 84.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.58
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-3-yl)-N-ethyl-N-[(2-ethyl-2-hydroxy-3-methylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide?

The IUPAC name of 3-(1-benzofuran-3-yl)-N-ethyl-N-[(2-ethyl-2-hydroxy-3-methylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide (CID 166880497) is 3-(1-benzofuran-3-yl)-N-ethyl-N-[(2-ethyl-2-hydroxy-3-methylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide.

What is the SMILES notation for 3-(1-benzofuran-3-yl)-N-ethyl-N-[(2-ethyl-2-hydroxy-3-methylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide?

The canonical SMILES for 3-(1-benzofuran-3-yl)-N-ethyl-N-[(2-ethyl-2-hydroxy-3-methylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide is CCN(CC1CCC(C)C1(O)CC)C(=O)c1cc2c(cn1)c(-c1coc3ccccc13)nn2CC(F)(F)F.

What is the InChIKey of 3-(1-benzofuran-3-yl)-N-ethyl-N-[(2-ethyl-2-hydroxy-3-methylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide?

The InChIKey is ILOPJCCHRNWMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N4O3/c1-4-27(37)17(3)10-11-18(27)14-34(5-2)26(36)22-12-23-20(13-32-22)25(33-35(23)16-28(29,30)31)21-15-38-24-9-7-6-8-19(21)24/h6-9,12-13,15,17-18,37H,4-5,10-11,14,16H2,1-3H3.

What are the key properties of 3-(1-benzofuran-3-yl)-N-ethyl-N-[(2-ethyl-2-hydroxy-3-methylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide?

3-(1-benzofuran-3-yl)-N-ethyl-N-[(2-ethyl-2-hydroxy-3-methylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide has a molecular weight of 528.58 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzofuran-3-yl)-N-ethyl-N-[(2-ethyl-2-hydroxy-3-methylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 166880497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).