1-(4-fluorophenyl)-2-oxo-N-[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide

C30H20FN5O3 — CID 71678236

About 1-(4-fluorophenyl)-2-oxo-N-[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide

1-(4-fluorophenyl)-2-oxo-N-[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide (PubChem CID 71678236) has the molecular formula C30H20FN5O3 and a molecular weight of 517.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-oxo-N-[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-2-oxo-N-[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide
• PubChem CID: 71678236
• Molecular Formula: C30H20FN5O3
• Molecular Weight: 517.52 g/mol
• Exact Mass: 517.16
• IUPAC Name: 1-(4-fluorophenyl)-2-oxo-N-[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide
• SMILES: O=C(Nc1ccc(Oc2ccnc3nc(-c4ccccc4)[nH]c23)cc1)c1cccn(-c2ccc(F)cc2)c1=O
• InChI: InChI=1S/C30H20FN5O3/c31-20-8-12-22(13-9-20)36-18-4-7-24(30(36)38)29(37)33-21-10-14-23(15-11-21)39-25-16-17-32-28-26(25)34-27(35-28)19-5-2-1-3-6-19/h1-18H,(H,33,37)(H,32,34,35)
• InChIKey: KZGJJWOKIPRUPD-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 101.90 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	517.52
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-oxo-N-[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide?

The IUPAC name of 1-(4-fluorophenyl)-2-oxo-N-[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide (CID 71678236) is 1-(4-fluorophenyl)-2-oxo-N-[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 1-(4-fluorophenyl)-2-oxo-N-[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide?

The canonical SMILES for 1-(4-fluorophenyl)-2-oxo-N-[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Oc2ccnc3nc(-c4ccccc4)[nH]c23)cc1)c1cccn(-c2ccc(F)cc2)c1=O.

What is the InChIKey of 1-(4-fluorophenyl)-2-oxo-N-[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide?

The InChIKey is KZGJJWOKIPRUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20FN5O3/c31-20-8-12-22(13-9-20)36-18-4-7-24(30(36)38)29(37)33-21-10-14-23(15-11-21)39-25-16-17-32-28-26(25)34-27(35-28)19-5-2-1-3-6-19/h1-18H,(H,33,37)(H,32,34,35).

What are the key properties of 1-(4-fluorophenyl)-2-oxo-N-[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide?

1-(4-fluorophenyl)-2-oxo-N-[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide has a molecular weight of 517.52 g/mol, XLogP of 5.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-2-oxo-N-[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 71678236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).