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

C28H18FN5O3S — CID 66550838

IUPAC1-(4-fluorophenyl)-2-oxo-N-[4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3nc(-c4ccsc4)[nH]c23)cc1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C28H18FN5O3S/c29-18-3-7-20(8-4-18)34-14-1-2-22(28(34)36)27(35)31-19-5-9-21(10-6-19)37-23-11-13-30-26-24(23)32-25(33-26)17-12-15-38-16-17/h1-16H,(H,31,35)(H,30,32,33)
InChIKeyCOLIQJPMIHFWGK-UHFFFAOYSA-N
MW523.55 g/mol
LogP6.02
Rot. Bonds6

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

1-(4-fluorophenyl)-2-oxo-N-[4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide (PubChem CID 66550838) has the molecular formula C28H18FN5O3S and a molecular weight of 523.55 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-oxo-N-[4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-oxo-N-[4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide
PubChem CID66550838
Molecular FormulaC28H18FN5O3S
Molecular Weight523.55 g/mol
Exact Mass523.11
IUPAC Name1-(4-fluorophenyl)-2-oxo-N-[4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3nc(-c4ccsc4)[nH]c23)cc1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C28H18FN5O3S/c29-18-3-7-20(8-4-18)34-14-1-2-22(28(34)36)27(35)31-19-5-9-21(10-6-19)37-23-11-13-30-26-24(23)32-25(33-26)17-12-15-38-16-17/h1-16H,(H,31,35)(H,30,32,33)
InChIKeyCOLIQJPMIHFWGK-UHFFFAOYSA-N
XLogP6.02
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.55
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-2-oxo-1-(pyridin-3-yl)-1,2-dihydropyridine-3-carboxamide
CID 21081772
1,1-Cyclopropanedicarboxamide, N-[4-[[2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy]-3-fluorophenyl]-N'-phenyl-
CID 16042707
N-[3-fluoro-4-(1H-imidazo[4,5-b]pyridin-7-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 145984368
N1-(4-(2-(1-ethyl-1H-imidazole-4-carbonyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-N3-(2-methoxyphenyl)malonamide
CID 16040870
1-N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 16041065
N1-(4-(2-(1-ethyl-1H-imidazole-4-carbonyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-N3-methyl-N3-phenylmalonamide
CID 16041066
N1-cyclohexyl-N3-(4-(2-(1-ethyl-1H-imidazole-4-carbonyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)malonamide
CID 16041234
N1-(4-(2-(1-ethyl-1H-imidazole-4-carbonyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-N3-(2-fluorophenyl)malonamide
CID 16041962
N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-N-phenylcyclopropane-1,1-dicarboxamide
CID 16042706
N-(4-(2-(1-ethyl-1H-imidazole-4-carbonyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 16042894
N1-(4-(2-(1-ethyl-1H-imidazole-4-carbonyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-N3-(2-(trifluoromethyl)phenyl)malonamide
CID 16043068
2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 23025793

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-oxo-N-[4-[(2-thiophen-3-yl-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-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide (CID 66550838) is 1-(4-fluorophenyl)-2-oxo-N-[4-[(2-thiophen-3-yl-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-thiophen-3-yl-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-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Oc2ccnc3nc(-c4ccsc4)[nH]c23)cc1)c1cccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-2-oxo-N-[4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide?
The InChIKey is COLIQJPMIHFWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18FN5O3S/c29-18-3-7-20(8-4-18)34-14-1-2-22(28(34)36)27(35)31-19-5-9-21(10-6-19)37-23-11-13-30-26-24(23)32-25(33-26)17-12-15-38-16-17/h1-16H,(H,31,35)(H,30,32,33).
What are the key properties of 1-(4-fluorophenyl)-2-oxo-N-[4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide?
1-(4-fluorophenyl)-2-oxo-N-[4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide has a molecular weight of 523.55 g/mol, XLogP of 6.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-oxo-N-[4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 66550838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).