6-(1-benzofuran-4-carbonyl)-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C24H19ClF3N5O3 — CID 171706356

About 6-(1-benzofuran-4-carbonyl)-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

6-(1-benzofuran-4-carbonyl)-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 171706356) has the molecular formula C24H19ClF3N5O3 and a molecular weight of 517.90 g/mol. Its IUPAC name is 6-(1-benzofuran-4-carbonyl)-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(1-benzofuran-4-carbonyl)-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 171706356
• Molecular Formula: C24H19ClF3N5O3
• Molecular Weight: 517.90 g/mol
• Exact Mass: 517.11
• IUPAC Name: 6-(1-benzofuran-4-carbonyl)-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: O=C(NCCc1ncc(C(F)(F)F)cc1Cl)c1n[nH]c2c1CCN(C(=O)c1cccc3occc13)C2
• InChI: InChI=1S/C24H19ClF3N5O3/c25-17-10-13(24(26,27)28)11-30-18(17)4-7-29-22(34)21-16-5-8-33(12-19(16)31-32-21)23(35)15-2-1-3-20-14(15)6-9-36-20/h1-3,6,9-11H,4-5,7-8,12H2,(H,29,34)(H,31,32)
• InChIKey: WCTFSNFYGPQVJU-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 104.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.90
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-4-carbonyl)-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of 6-(1-benzofuran-4-carbonyl)-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 171706356) is 6-(1-benzofuran-4-carbonyl)-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for 6-(1-benzofuran-4-carbonyl)-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for 6-(1-benzofuran-4-carbonyl)-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is O=C(NCCc1ncc(C(F)(F)F)cc1Cl)c1n[nH]c2c1CCN(C(=O)c1cccc3occc13)C2.

What is the InChIKey of 6-(1-benzofuran-4-carbonyl)-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is WCTFSNFYGPQVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N5O3/c25-17-10-13(24(26,27)28)11-30-18(17)4-7-29-22(34)21-16-5-8-33(12-19(16)31-32-21)23(35)15-2-1-3-20-14(15)6-9-36-20/h1-3,6,9-11H,4-5,7-8,12H2,(H,29,34)(H,31,32).

What are the key properties of 6-(1-benzofuran-4-carbonyl)-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?

6-(1-benzofuran-4-carbonyl)-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 517.90 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-benzofuran-4-carbonyl)-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 171706356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).