1-(3,4-dimethoxyphenyl)-6-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine

C21H18FN3O2 — CID 164609173

IUPAC1-(3,4-dimethoxyphenyl)-6-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine
SMILESCOc1ccc(-n2cnc3cnc(-c4cc(F)ccc4C)cc32)cc1OC
InChIInChI=1S/C21H18FN3O2/c1-13-4-5-14(22)8-16(13)17-10-19-18(11-23-17)24-12-25(19)15-6-7-20(26-2)21(9-15)27-3/h4-12H,1-3H3
InChIKeyIKANYYZJCYKENN-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.55
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-6-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine

1-(3,4-dimethoxyphenyl)-6-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine (PubChem CID 164609173) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-6-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-6-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine
PubChem CID164609173
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name1-(3,4-dimethoxyphenyl)-6-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine
SMILESCOc1ccc(-n2cnc3cnc(-c4cc(F)ccc4C)cc32)cc1OC
InChIInChI=1S/C21H18FN3O2/c1-13-4-5-14(22)8-16(13)17-10-19-18(11-23-17)24-12-25(19)15-6-7-20(26-2)21(9-15)27-3/h4-12H,1-3H3
InChIKeyIKANYYZJCYKENN-UHFFFAOYSA-N
XLogP4.55
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-6-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-6-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine (CID 164609173) is 1-(3,4-dimethoxyphenyl)-6-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-6-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-6-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine is COc1ccc(-n2cnc3cnc(-c4cc(F)ccc4C)cc32)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-6-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine?
The InChIKey is IKANYYZJCYKENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-13-4-5-14(22)8-16(13)17-10-19-18(11-23-17)24-12-25(19)15-6-7-20(26-2)21(9-15)27-3/h4-12H,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-6-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine?
1-(3,4-dimethoxyphenyl)-6-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine has a molecular weight of 363.39 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-6-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 164609173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).