3-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one

C30H21F2N5O3 — CID 152834497

About 3-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one

3-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one (PubChem CID 152834497) has the molecular formula C30H21F2N5O3 and a molecular weight of 537.53 g/mol. Its IUPAC name is 3-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one.

Molecular Properties

• Compound Name: 3-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
• PubChem CID: 152834497
• Molecular Formula: C30H21F2N5O3
• Molecular Weight: 537.53 g/mol
• Exact Mass: 537.16
• IUPAC Name: 3-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
• SMILES: Cn1cnc(-c2cc(Oc3ccc(CC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c3ccnn3c2)c1
• InChI: InChI=1S/C30H21F2N5O3/c1-35-17-25(33-18-35)20-15-29(26-10-11-34-37(26)16-20)40-28-9-4-19(13-24(28)32)14-27(38)23-3-2-12-36(30(23)39)22-7-5-21(31)6-8-22/h2-13,15-18H,14H2,1H3
• InChIKey: SXBFJYRGNSEKLN-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 83.42 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.53
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one?

The IUPAC name of 3-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one (CID 152834497) is 3-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one.

What is the SMILES notation for 3-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one?

The canonical SMILES for 3-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one is Cn1cnc(-c2cc(Oc3ccc(CC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c3ccnn3c2)c1.

What is the InChIKey of 3-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one?

The InChIKey is SXBFJYRGNSEKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21F2N5O3/c1-35-17-25(33-18-35)20-15-29(26-10-11-34-37(26)16-20)40-28-9-4-19(13-24(28)32)14-27(38)23-3-2-12-36(30(23)39)22-7-5-21(31)6-8-22/h2-13,15-18H,14H2,1H3.

What are the key properties of 3-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one?

3-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one has a molecular weight of 537.53 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one is sourced from PubChem (CID 152834497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).