1-(4-fluoro-3-pyridin-3-ylphenyl)-5-methylimidazo[4,5-c]pyridin-4-one

C18H13FN4O — CID 22490291

IUPAC1-(4-fluoro-3-pyridin-3-ylphenyl)-5-methylimidazo[4,5-c]pyridin-4-one
SMILESCn1ccc2c(ncn2-c2ccc(F)c(-c3cccnc3)c2)c1=O
InChIInChI=1S/C18H13FN4O/c1-22-8-6-16-17(18(22)24)21-11-23(16)13-4-5-15(19)14(9-13)12-3-2-7-20-10-12/h2-11H,1H3
InChIKeyISIDUXIIDKRKGS-UHFFFAOYSA-N
MW320.33 g/mol
LogP2.93
Rot. Bonds2

About 1-(4-fluoro-3-pyridin-3-ylphenyl)-5-methylimidazo[4,5-c]pyridin-4-one

1-(4-fluoro-3-pyridin-3-ylphenyl)-5-methylimidazo[4,5-c]pyridin-4-one (PubChem CID 22490291) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 1-(4-fluoro-3-pyridin-3-ylphenyl)-5-methylimidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name1-(4-fluoro-3-pyridin-3-ylphenyl)-5-methylimidazo[4,5-c]pyridin-4-one
PubChem CID22490291
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name1-(4-fluoro-3-pyridin-3-ylphenyl)-5-methylimidazo[4,5-c]pyridin-4-one
SMILESCn1ccc2c(ncn2-c2ccc(F)c(-c3cccnc3)c2)c1=O
InChIInChI=1S/C18H13FN4O/c1-22-8-6-16-17(18(22)24)21-11-23(16)13-4-5-15(19)14(9-13)12-3-2-7-20-10-12/h2-11H,1H3
InChIKeyISIDUXIIDKRKGS-UHFFFAOYSA-N
XLogP2.93
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-pyridin-3-ylphenyl)-5-methylimidazo[4,5-c]pyridin-4-one?
The IUPAC name of 1-(4-fluoro-3-pyridin-3-ylphenyl)-5-methylimidazo[4,5-c]pyridin-4-one (CID 22490291) is 1-(4-fluoro-3-pyridin-3-ylphenyl)-5-methylimidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 1-(4-fluoro-3-pyridin-3-ylphenyl)-5-methylimidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 1-(4-fluoro-3-pyridin-3-ylphenyl)-5-methylimidazo[4,5-c]pyridin-4-one is Cn1ccc2c(ncn2-c2ccc(F)c(-c3cccnc3)c2)c1=O.
What is the InChIKey of 1-(4-fluoro-3-pyridin-3-ylphenyl)-5-methylimidazo[4,5-c]pyridin-4-one?
The InChIKey is ISIDUXIIDKRKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c1-22-8-6-16-17(18(22)24)21-11-23(16)13-4-5-15(19)14(9-13)12-3-2-7-20-10-12/h2-11H,1H3.
What are the key properties of 1-(4-fluoro-3-pyridin-3-ylphenyl)-5-methylimidazo[4,5-c]pyridin-4-one?
1-(4-fluoro-3-pyridin-3-ylphenyl)-5-methylimidazo[4,5-c]pyridin-4-one has a molecular weight of 320.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-pyridin-3-ylphenyl)-5-methylimidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 22490291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).