N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide

C30H22F3N7O2 — CID 171811851

About N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide

N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 171811851) has the molecular formula C30H22F3N7O2 and a molecular weight of 569.55 g/mol. Its IUPAC name is N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide
• PubChem CID: 171811851
• Molecular Formula: C30H22F3N7O2
• Molecular Weight: 569.55 g/mol
• Exact Mass: 569.18
• IUPAC Name: N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide
• SMILES: O=C(NC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F)c1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2c1
• InChI: InChI=1S/C30H22F3N7O2/c31-22-4-1-20(2-5-22)28-27(19-9-11-34-12-10-19)26-8-3-21(14-40(26)38-28)29(41)36-15-30(42,16-39-18-35-17-37-39)24-7-6-23(32)13-25(24)33/h1-14,17-18,42H,15-16H2,(H,36,41)/t30-/m1/s1
• InChIKey: ALPLKRQRGSYREW-SSEXGKCCSA-N
• XLogP: 4.39
• TPSA: 110.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.55
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide?

The IUPAC name of N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide (CID 171811851) is N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide.

What is the SMILES notation for N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide?

The canonical SMILES for N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide is O=C(NC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F)c1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2c1.

What is the InChIKey of N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide?

The InChIKey is ALPLKRQRGSYREW-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H22F3N7O2/c31-22-4-1-20(2-5-22)28-27(19-9-11-34-12-10-19)26-8-3-21(14-40(26)38-28)29(41)36-15-30(42,16-39-18-35-17-37-39)24-7-6-23(32)13-25(24)33/h1-14,17-18,42H,15-16H2,(H,36,41)/t30-/m1/s1.

What are the key properties of N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide?

N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 569.55 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 171811851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).