2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine

C25H22FN5O2 — CID 67004612

IUPAC2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine
SMILESCOc1cc(Nc2nc(C)cc3c2nc(-c2ccc(F)cc2)n3C)ccc1-c1cnc(C)o1
InChIInChI=1S/C25H22FN5O2/c1-14-11-20-23(30-25(31(20)3)16-5-7-17(26)8-6-16)24(28-14)29-18-9-10-19(21(12-18)32-4)22-13-27-15(2)33-22/h5-13H,1-4H3,(H,28,29)
InChIKeyHFIPOUPUXYGWMJ-UHFFFAOYSA-N
MW443.48 g/mol
LogP5.80
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine

2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine (PubChem CID 67004612) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine
PubChem CID67004612
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine
SMILESCOc1cc(Nc2nc(C)cc3c2nc(-c2ccc(F)cc2)n3C)ccc1-c1cnc(C)o1
InChIInChI=1S/C25H22FN5O2/c1-14-11-20-23(30-25(31(20)3)16-5-7-17(26)8-6-16)24(28-14)29-18-9-10-19(21(12-18)32-4)22-13-27-15(2)33-22/h5-13H,1-4H3,(H,28,29)
InChIKeyHFIPOUPUXYGWMJ-UHFFFAOYSA-N
XLogP5.80
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.48
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine (CID 67004612) is 2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine is COc1cc(Nc2nc(C)cc3c2nc(-c2ccc(F)cc2)n3C)ccc1-c1cnc(C)o1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine?
The InChIKey is HFIPOUPUXYGWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c1-14-11-20-23(30-25(31(20)3)16-5-7-17(26)8-6-16)24(28-14)29-18-9-10-19(21(12-18)32-4)22-13-27-15(2)33-22/h5-13H,1-4H3,(H,28,29).
What are the key properties of 2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine?
2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 443.48 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 67004612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).