1-[(4-methoxyphenyl)methyl]-2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C31H25F4N3O4 — CID 170550029

About 1-[(4-methoxyphenyl)methyl]-2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

1-[(4-methoxyphenyl)methyl]-2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170550029) has the molecular formula C31H25F4N3O4 and a molecular weight of 579.55 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-methoxyphenyl)methyl]-2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 170550029
• Molecular Formula: C31H25F4N3O4
• Molecular Weight: 579.55 g/mol
• Exact Mass: 579.18
• IUPAC Name: 1-[(4-methoxyphenyl)methyl]-2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CCCOc1cccc(-c2c(F)c(F)c(NC(=O)c3c(=O)n(Cc4ccc(OC)cc4)n4ccccc34)c(F)c2F)c1
• InChI: InChI=1S/C31H25F4N3O4/c1-3-15-42-21-8-6-7-19(16-21)23-25(32)27(34)29(28(35)26(23)33)36-30(39)24-22-9-4-5-14-37(22)38(31(24)40)17-18-10-12-20(41-2)13-11-18/h4-14,16H,3,15,17H2,1-2H3,(H,36,39)
• InChIKey: HSROEACHAHOQJF-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.55
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 170550029) is 1-[(4-methoxyphenyl)methyl]-2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is CCCOc1cccc(-c2c(F)c(F)c(NC(=O)c3c(=O)n(Cc4ccc(OC)cc4)n4ccccc34)c(F)c2F)c1.

What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is HSROEACHAHOQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F4N3O4/c1-3-15-42-21-8-6-7-19(16-21)23-25(32)27(34)29(28(35)26(23)33)36-30(39)24-22-9-4-5-14-37(22)38(31(24)40)17-18-10-12-20(41-2)13-11-18/h4-14,16H,3,15,17H2,1-2H3,(H,36,39).

What are the key properties of 1-[(4-methoxyphenyl)methyl]-2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

1-[(4-methoxyphenyl)methyl]-2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 579.55 g/mol, XLogP of 6.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-methoxyphenyl)methyl]-2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170550029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).