N-[4-[3-(2,2-difluoropropoxy)phenyl]-2,3,5,6-tetrafluorophenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide

C23H15F6N3O3 — CID 163299017

About N-[4-[3-(2,2-difluoropropoxy)phenyl]-2,3,5,6-tetrafluorophenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide

N-[4-[3-(2,2-difluoropropoxy)phenyl]-2,3,5,6-tetrafluorophenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 163299017) has the molecular formula C23H15F6N3O3 and a molecular weight of 495.38 g/mol. Its IUPAC name is N-[4-[3-(2,2-difluoropropoxy)phenyl]-2,3,5,6-tetrafluorophenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[3-(2,2-difluoropropoxy)phenyl]-2,3,5,6-tetrafluorophenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 163299017
• Molecular Formula: C23H15F6N3O3
• Molecular Weight: 495.38 g/mol
• Exact Mass: 495.10
• IUPAC Name: N-[4-[3-(2,2-difluoropropoxy)phenyl]-2,3,5,6-tetrafluorophenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CC(F)(F)COc1cccc(-c2c(F)c(F)c(NC(=O)c3c(=O)[nH]n4ccccc34)c(F)c2F)c1
• InChI: InChI=1S/C23H15F6N3O3/c1-23(28,29)10-35-12-6-4-5-11(9-12)14-16(24)18(26)20(19(27)17(14)25)30-21(33)15-13-7-2-3-8-32(13)31-22(15)34/h2-9H,10H2,1H3,(H,30,33)(H,31,34)
• InChIKey: VMNSFPULVHCEOI-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 75.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.38
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,2-difluoropropoxy)phenyl]-2,3,5,6-tetrafluorophenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[4-[3-(2,2-difluoropropoxy)phenyl]-2,3,5,6-tetrafluorophenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (CID 163299017) is N-[4-[3-(2,2-difluoropropoxy)phenyl]-2,3,5,6-tetrafluorophenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[3-(2,2-difluoropropoxy)phenyl]-2,3,5,6-tetrafluorophenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[4-[3-(2,2-difluoropropoxy)phenyl]-2,3,5,6-tetrafluorophenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is CC(F)(F)COc1cccc(-c2c(F)c(F)c(NC(=O)c3c(=O)[nH]n4ccccc34)c(F)c2F)c1.

What is the InChIKey of N-[4-[3-(2,2-difluoropropoxy)phenyl]-2,3,5,6-tetrafluorophenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is VMNSFPULVHCEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F6N3O3/c1-23(28,29)10-35-12-6-4-5-11(9-12)14-16(24)18(26)20(19(27)17(14)25)30-21(33)15-13-7-2-3-8-32(13)31-22(15)34/h2-9H,10H2,1H3,(H,30,33)(H,31,34).

What are the key properties of N-[4-[3-(2,2-difluoropropoxy)phenyl]-2,3,5,6-tetrafluorophenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?

N-[4-[3-(2,2-difluoropropoxy)phenyl]-2,3,5,6-tetrafluorophenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 495.38 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(2,2-difluoropropoxy)phenyl]-2,3,5,6-tetrafluorophenyl]-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 163299017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).