3-[2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one

C31H22F2N4O4 — CID 147404576

About 3-[2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one

3-[2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one (PubChem CID 147404576) has the molecular formula C31H22F2N4O4 and a molecular weight of 552.54 g/mol. Its IUPAC name is 3-[2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one.

Molecular Properties

• Compound Name: 3-[2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
• PubChem CID: 147404576
• Molecular Formula: C31H22F2N4O4
• Molecular Weight: 552.54 g/mol
• Exact Mass: 552.16
• IUPAC Name: 3-[2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
• SMILES: Cc1noc(C)c1-c1cc(Oc2ccc(CC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c2ccnn2c1
• InChI: InChI=1S/C31H22F2N4O4/c1-18-30(19(2)41-35-18)21-16-29(26-11-12-34-37(26)17-21)40-28-10-5-20(14-25(28)33)15-27(38)24-4-3-13-36(31(24)39)23-8-6-22(32)7-9-23/h3-14,16-17H,15H2,1-2H3
• InChIKey: DPKJOJSCJSUQJV-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 91.63 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.54
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one (CID 147404576) is 3-[2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one.

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

The canonical SMILES for 3-[2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one is Cc1noc(C)c1-c1cc(Oc2ccc(CC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c2ccnn2c1.

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

The InChIKey is DPKJOJSCJSUQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22F2N4O4/c1-18-30(19(2)41-35-18)21-16-29(26-11-12-34-37(26)17-21)40-28-10-5-20(14-25(28)33)15-27(38)24-4-3-13-36(31(24)39)23-8-6-22(32)7-9-23/h3-14,16-17H,15H2,1-2H3.

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

3-[2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one has a molecular weight of 552.54 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one is sourced from PubChem (CID 147404576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).