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

C17H16FN3O — CID 54760488

IUPAC1-(cyclopropylmethyl)-5-(2-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC2CC2)c2ccc(-c3ccccc3F)nc21
InChIInChI=1S/C17H16FN3O/c1-20-16-15(21(17(20)22)10-11-6-7-11)9-8-14(19-16)12-4-2-3-5-13(12)18/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyRDJBUUBYLQSLMX-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.95
Rot. Bonds3

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

1-(cyclopropylmethyl)-5-(2-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 54760488) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-(2-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-(2-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one
PubChem CID54760488
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name1-(cyclopropylmethyl)-5-(2-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC2CC2)c2ccc(-c3ccccc3F)nc21
InChIInChI=1S/C17H16FN3O/c1-20-16-15(21(17(20)22)10-11-6-7-11)9-8-14(19-16)12-4-2-3-5-13(12)18/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyRDJBUUBYLQSLMX-UHFFFAOYSA-N
XLogP2.95
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-(2-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-5-(2-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one (CID 54760488) is 1-(cyclopropylmethyl)-5-(2-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-(2-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-5-(2-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(CC2CC2)c2ccc(-c3ccccc3F)nc21.
What is the InChIKey of 1-(cyclopropylmethyl)-5-(2-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is RDJBUUBYLQSLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-20-16-15(21(17(20)22)10-11-6-7-11)9-8-14(19-16)12-4-2-3-5-13(12)18/h2-5,8-9,11H,6-7,10H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-5-(2-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one?
1-(cyclopropylmethyl)-5-(2-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 297.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-(2-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 54760488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).