1-(cyclopropylmethyl)-5-(4-fluoro-2-methylphenyl)-3-methylimidazo[4,5-b]pyridin-2-one

C18H18FN3O — CID 54760680

IUPAC1-(cyclopropylmethyl)-5-(4-fluoro-2-methylphenyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCc1cc(F)ccc1-c1ccc2c(n1)n(C)c(=O)n2CC1CC1
InChIInChI=1S/C18H18FN3O/c1-11-9-13(19)5-6-14(11)15-7-8-16-17(20-15)21(2)18(23)22(16)10-12-3-4-12/h5-9,12H,3-4,10H2,1-2H3
InChIKeyZHGFUZMBPVNQHX-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.26
Rot. Bonds3

About 1-(cyclopropylmethyl)-5-(4-fluoro-2-methylphenyl)-3-methylimidazo[4,5-b]pyridin-2-one

1-(cyclopropylmethyl)-5-(4-fluoro-2-methylphenyl)-3-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 54760680) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-(4-fluoro-2-methylphenyl)-3-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-(4-fluoro-2-methylphenyl)-3-methylimidazo[4,5-b]pyridin-2-one
PubChem CID54760680
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name1-(cyclopropylmethyl)-5-(4-fluoro-2-methylphenyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCc1cc(F)ccc1-c1ccc2c(n1)n(C)c(=O)n2CC1CC1
InChIInChI=1S/C18H18FN3O/c1-11-9-13(19)5-6-14(11)15-7-8-16-17(20-15)21(2)18(23)22(16)10-12-3-4-12/h5-9,12H,3-4,10H2,1-2H3
InChIKeyZHGFUZMBPVNQHX-UHFFFAOYSA-N
XLogP3.26
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-(4-fluoro-2-methylphenyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-5-(4-fluoro-2-methylphenyl)-3-methylimidazo[4,5-b]pyridin-2-one (CID 54760680) is 1-(cyclopropylmethyl)-5-(4-fluoro-2-methylphenyl)-3-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-(4-fluoro-2-methylphenyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-5-(4-fluoro-2-methylphenyl)-3-methylimidazo[4,5-b]pyridin-2-one is Cc1cc(F)ccc1-c1ccc2c(n1)n(C)c(=O)n2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-(4-fluoro-2-methylphenyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is ZHGFUZMBPVNQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-11-9-13(19)5-6-14(11)15-7-8-16-17(20-15)21(2)18(23)22(16)10-12-3-4-12/h5-9,12H,3-4,10H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-5-(4-fluoro-2-methylphenyl)-3-methylimidazo[4,5-b]pyridin-2-one?
1-(cyclopropylmethyl)-5-(4-fluoro-2-methylphenyl)-3-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 311.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-(4-fluoro-2-methylphenyl)-3-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 54760680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).