5-[[2-(3-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole

C23H12ClF5N4O — CID 59130668

IUPAC5-[[2-(3-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESFc1cc(C(F)(F)F)ccc1-c1cc(Cn2ccc3nc(-c4cccc(Cl)c4F)nc-3c2)on1
InChIInChI=1S/C23H12ClF5N4O/c24-16-3-1-2-15(21(16)26)22-30-18-6-7-33(11-20(18)31-22)10-13-9-19(32-34-13)14-5-4-12(8-17(14)25)23(27,28)29/h1-9,11H,10H2
InChIKeyFMAUWPUNUMBFDU-UHFFFAOYSA-N
MW490.82 g/mol
LogP6.70
Rot. Bonds4

About 5-[[2-(3-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole

5-[[2-(3-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole (PubChem CID 59130668) has the molecular formula C23H12ClF5N4O and a molecular weight of 490.82 g/mol. Its IUPAC name is 5-[[2-(3-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[[2-(3-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole
PubChem CID59130668
Molecular FormulaC23H12ClF5N4O
Molecular Weight490.82 g/mol
Exact Mass490.06
IUPAC Name5-[[2-(3-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESFc1cc(C(F)(F)F)ccc1-c1cc(Cn2ccc3nc(-c4cccc(Cl)c4F)nc-3c2)on1
InChIInChI=1S/C23H12ClF5N4O/c24-16-3-1-2-15(21(16)26)22-30-18-6-7-33(11-20(18)31-22)10-13-9-19(32-34-13)14-5-4-12(8-17(14)25)23(27,28)29/h1-9,11H,10H2
InChIKeyFMAUWPUNUMBFDU-UHFFFAOYSA-N
XLogP6.70
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.82
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole?
The IUPAC name of 5-[[2-(3-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole (CID 59130668) is 5-[[2-(3-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole.
What is the SMILES notation for 5-[[2-(3-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole?
The canonical SMILES for 5-[[2-(3-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole is Fc1cc(C(F)(F)F)ccc1-c1cc(Cn2ccc3nc(-c4cccc(Cl)c4F)nc-3c2)on1.
What is the InChIKey of 5-[[2-(3-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole?
The InChIKey is FMAUWPUNUMBFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12ClF5N4O/c24-16-3-1-2-15(21(16)26)22-30-18-6-7-33(11-20(18)31-22)10-13-9-19(32-34-13)14-5-4-12(8-17(14)25)23(27,28)29/h1-9,11H,10H2.
What are the key properties of 5-[[2-(3-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole?
5-[[2-(3-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole has a molecular weight of 490.82 g/mol, XLogP of 6.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole is sourced from PubChem (CID 59130668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).