2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyanilino]-N-phenylpyridine-3-carboxamide

C29H22FN7O2 — CID 118197732

About 2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyanilino]-N-phenylpyridine-3-carboxamide

2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyanilino]-N-phenylpyridine-3-carboxamide (PubChem CID 118197732) has the molecular formula C29H22FN7O2 and a molecular weight of 519.54 g/mol. Its IUPAC name is 2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyanilino]-N-phenylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyanilino]-N-phenylpyridine-3-carboxamide
• PubChem CID: 118197732
• Molecular Formula: C29H22FN7O2
• Molecular Weight: 519.54 g/mol
• Exact Mass: 519.18
• IUPAC Name: 2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyanilino]-N-phenylpyridine-3-carboxamide
• SMILES: Cn1cnc(-c2cc(Oc3ccc(Nc4ncccc4C(=O)Nc4ccccc4)cc3F)c3ccnn3c2)c1
• InChI: InChI=1S/C29H22FN7O2/c1-36-17-24(32-18-36)19-14-27(25-11-13-33-37(25)16-19)39-26-10-9-21(15-23(26)30)34-28-22(8-5-12-31-28)29(38)35-20-6-3-2-4-7-20/h2-18H,1H3,(H,31,34)(H,35,38)
• InChIKey: CFKLEFPCSBSHSZ-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 98.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.54
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyanilino]-N-phenylpyridine-3-carboxamide?

The IUPAC name of 2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyanilino]-N-phenylpyridine-3-carboxamide (CID 118197732) is 2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyanilino]-N-phenylpyridine-3-carboxamide.

What is the SMILES notation for 2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyanilino]-N-phenylpyridine-3-carboxamide?

The canonical SMILES for 2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyanilino]-N-phenylpyridine-3-carboxamide is Cn1cnc(-c2cc(Oc3ccc(Nc4ncccc4C(=O)Nc4ccccc4)cc3F)c3ccnn3c2)c1.

What is the InChIKey of 2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyanilino]-N-phenylpyridine-3-carboxamide?

The InChIKey is CFKLEFPCSBSHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22FN7O2/c1-36-17-24(32-18-36)19-14-27(25-11-13-33-37(25)16-19)39-26-10-9-21(15-23(26)30)34-28-22(8-5-12-31-28)29(38)35-20-6-3-2-4-7-20/h2-18H,1H3,(H,31,34)(H,35,38).

What are the key properties of 2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyanilino]-N-phenylpyridine-3-carboxamide?

2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyanilino]-N-phenylpyridine-3-carboxamide has a molecular weight of 519.54 g/mol, XLogP of 6.06, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyanilino]-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 118197732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).