N-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methyl-6-oxo-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

C21H19F3N8O2 — CID 171483474

About N-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methyl-6-oxo-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

N-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methyl-6-oxo-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 171483474) has the molecular formula C21H19F3N8O2 and a molecular weight of 472.43 g/mol. Its IUPAC name is N-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methyl-6-oxo-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methyl-6-oxo-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
• PubChem CID: 171483474
• Molecular Formula: C21H19F3N8O2
• Molecular Weight: 472.43 g/mol
• Exact Mass: 472.16
• IUPAC Name: N-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methyl-6-oxo-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
• SMILES: Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cccc(-c4nncn4C4CCCC4)n3)c(=O)[nH]c21
• InChI: InChI=1S/C21H19F3N8O2/c1-31-17-12(16(30-31)21(22,23)24)9-13(20(34)28-17)19(33)27-15-8-4-7-14(26-15)18-29-25-10-32(18)11-5-2-3-6-11/h4,7-11H,2-3,5-6H2,1H3,(H,28,34)(H,26,27,33)
• InChIKey: AEMNCAAPYUEPRZ-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 123.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.43
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methyl-6-oxo-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?

The IUPAC name of N-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methyl-6-oxo-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (CID 171483474) is N-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methyl-6-oxo-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.

What is the SMILES notation for N-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methyl-6-oxo-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?

The canonical SMILES for N-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methyl-6-oxo-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cccc(-c4nncn4C4CCCC4)n3)c(=O)[nH]c21.

What is the InChIKey of N-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methyl-6-oxo-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?

The InChIKey is AEMNCAAPYUEPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N8O2/c1-31-17-12(16(30-31)21(22,23)24)9-13(20(34)28-17)19(33)27-15-8-4-7-14(26-15)18-29-25-10-32(18)11-5-2-3-6-11/h4,7-11H,2-3,5-6H2,1H3,(H,28,34)(H,26,27,33).

What are the key properties of N-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methyl-6-oxo-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?

N-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methyl-6-oxo-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 472.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methyl-6-oxo-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 171483474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).