4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridine

C20H24FN3O3 — CID 18001490

IUPAC4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridine
SMILESCCC(COC)n1c(OC)nc2c(-c3cc(F)c(OC)cc3C)nccc21
InChIInChI=1S/C20H24FN3O3/c1-6-13(11-25-3)24-16-7-8-22-18(19(16)23-20(24)27-5)14-10-15(21)17(26-4)9-12(14)2/h7-10,13H,6,11H2,1-5H3
InChIKeyHSEPABHFIGLZGZ-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.16
Rot. Bonds7

About 4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridine

4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridine (PubChem CID 18001490) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridine
PubChem CID18001490
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridine
SMILESCCC(COC)n1c(OC)nc2c(-c3cc(F)c(OC)cc3C)nccc21
InChIInChI=1S/C20H24FN3O3/c1-6-13(11-25-3)24-16-7-8-22-18(19(16)23-20(24)27-5)14-10-15(21)17(26-4)9-12(14)2/h7-10,13H,6,11H2,1-5H3
InChIKeyHSEPABHFIGLZGZ-UHFFFAOYSA-N
XLogP4.16
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridine (CID 18001490) is 4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridine is CCC(COC)n1c(OC)nc2c(-c3cc(F)c(OC)cc3C)nccc21.
What is the InChIKey of 4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridine?
The InChIKey is HSEPABHFIGLZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-6-13(11-25-3)24-16-7-8-22-18(19(16)23-20(24)27-5)14-10-15(21)17(26-4)9-12(14)2/h7-10,13H,6,11H2,1-5H3.
What are the key properties of 4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridine?
4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridine has a molecular weight of 373.43 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 18001490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).