5-chloro-3-phenyl-1-propan-2-ylimidazo[4,5-b]pyridin-2-one

C15H14ClN3O — CID 24839165

IUPAC5-chloro-3-phenyl-1-propan-2-ylimidazo[4,5-b]pyridin-2-one
SMILESCC(C)n1c(=O)n(-c2ccccc2)c2nc(Cl)ccc21
InChIInChI=1S/C15H14ClN3O/c1-10(2)18-12-8-9-13(16)17-14(12)19(15(18)20)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyMIHSLXSBQFWZOR-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.42
Rot. Bonds2

About 5-chloro-3-phenyl-1-propan-2-ylimidazo[4,5-b]pyridin-2-one

5-chloro-3-phenyl-1-propan-2-ylimidazo[4,5-b]pyridin-2-one (PubChem CID 24839165) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 5-chloro-3-phenyl-1-propan-2-ylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-phenyl-1-propan-2-ylimidazo[4,5-b]pyridin-2-one
PubChem CID24839165
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name5-chloro-3-phenyl-1-propan-2-ylimidazo[4,5-b]pyridin-2-one
SMILESCC(C)n1c(=O)n(-c2ccccc2)c2nc(Cl)ccc21
InChIInChI=1S/C15H14ClN3O/c1-10(2)18-12-8-9-13(16)17-14(12)19(15(18)20)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyMIHSLXSBQFWZOR-UHFFFAOYSA-N
XLogP3.42
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-phenyl-1-propan-2-ylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-chloro-3-phenyl-1-propan-2-ylimidazo[4,5-b]pyridin-2-one (CID 24839165) is 5-chloro-3-phenyl-1-propan-2-ylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-chloro-3-phenyl-1-propan-2-ylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-chloro-3-phenyl-1-propan-2-ylimidazo[4,5-b]pyridin-2-one is CC(C)n1c(=O)n(-c2ccccc2)c2nc(Cl)ccc21.
What is the InChIKey of 5-chloro-3-phenyl-1-propan-2-ylimidazo[4,5-b]pyridin-2-one?
The InChIKey is MIHSLXSBQFWZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-10(2)18-12-8-9-13(16)17-14(12)19(15(18)20)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 5-chloro-3-phenyl-1-propan-2-ylimidazo[4,5-b]pyridin-2-one?
5-chloro-3-phenyl-1-propan-2-ylimidazo[4,5-b]pyridin-2-one has a molecular weight of 287.75 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-phenyl-1-propan-2-ylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 24839165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).