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

C28H19F4N3O4 — CID 170550002

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

1-[(4-methoxyphenyl)methyl]-2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170550002) has the molecular formula C28H19F4N3O4 and a molecular weight of 537.47 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)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-hydroxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 170550002
• Molecular Formula: C28H19F4N3O4
• Molecular Weight: 537.47 g/mol
• Exact Mass: 537.13
• IUPAC Name: 1-[(4-methoxyphenyl)methyl]-2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: COc1ccc(Cn2c(=O)c(C(=O)Nc3c(F)c(F)c(-c4cccc(O)c4)c(F)c3F)c3ccccn32)cc1
• InChI: InChI=1S/C28H19F4N3O4/c1-39-18-10-8-15(9-11-18)14-35-28(38)21(19-7-2-3-12-34(19)35)27(37)33-26-24(31)22(29)20(23(30)25(26)32)16-5-4-6-17(36)13-16/h2-13,36H,14H2,1H3,(H,33,37)
• InChIKey: NDVXGLNYACVMGP-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 84.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.47
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
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-hydroxyphenyl)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-hydroxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 170550002) is 1-[(4-methoxyphenyl)methyl]-2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)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-hydroxyphenyl)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-hydroxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is COc1ccc(Cn2c(=O)c(C(=O)Nc3c(F)c(F)c(-c4cccc(O)c4)c(F)c3F)c3ccccn32)cc1.

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

The InChIKey is NDVXGLNYACVMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F4N3O4/c1-39-18-10-8-15(9-11-18)14-35-28(38)21(19-7-2-3-12-34(19)35)27(37)33-26-24(31)22(29)20(23(30)25(26)32)16-5-4-6-17(36)13-16/h2-13,36H,14H2,1H3,(H,33,37).

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

1-[(4-methoxyphenyl)methyl]-2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 537.47 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 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-hydroxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170550002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).