1-[2-(azetidin-1-yl)ethyl]-6-(3-chlorophenyl)-3H-imidazo[4,5-b]pyridin-2-one

C17H17ClN4O — CID 134493839

IUPAC1-[2-(azetidin-1-yl)ethyl]-6-(3-chlorophenyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(-c3cccc(Cl)c3)cc2n1CCN1CCC1
InChIInChI=1S/C17H17ClN4O/c18-14-4-1-3-12(9-14)13-10-15-16(19-11-13)20-17(23)22(15)8-7-21-5-2-6-21/h1,3-4,9-11H,2,5-8H2,(H,19,20,23)
InChIKeyIXCCFMHPHIJVCW-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.75
Rot. Bonds4

About 1-[2-(azetidin-1-yl)ethyl]-6-(3-chlorophenyl)-3H-imidazo[4,5-b]pyridin-2-one

1-[2-(azetidin-1-yl)ethyl]-6-(3-chlorophenyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134493839) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 1-[2-(azetidin-1-yl)ethyl]-6-(3-chlorophenyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(azetidin-1-yl)ethyl]-6-(3-chlorophenyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134493839
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name1-[2-(azetidin-1-yl)ethyl]-6-(3-chlorophenyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(-c3cccc(Cl)c3)cc2n1CCN1CCC1
InChIInChI=1S/C17H17ClN4O/c18-14-4-1-3-12(9-14)13-10-15-16(19-11-13)20-17(23)22(15)8-7-21-5-2-6-21/h1,3-4,9-11H,2,5-8H2,(H,19,20,23)
InChIKeyIXCCFMHPHIJVCW-UHFFFAOYSA-N
XLogP2.75
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-1-yl)ethyl]-6-(3-chlorophenyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[2-(azetidin-1-yl)ethyl]-6-(3-chlorophenyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 134493839) is 1-[2-(azetidin-1-yl)ethyl]-6-(3-chlorophenyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[2-(azetidin-1-yl)ethyl]-6-(3-chlorophenyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[2-(azetidin-1-yl)ethyl]-6-(3-chlorophenyl)-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncc(-c3cccc(Cl)c3)cc2n1CCN1CCC1.
What is the InChIKey of 1-[2-(azetidin-1-yl)ethyl]-6-(3-chlorophenyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is IXCCFMHPHIJVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c18-14-4-1-3-12(9-14)13-10-15-16(19-11-13)20-17(23)22(15)8-7-21-5-2-6-21/h1,3-4,9-11H,2,5-8H2,(H,19,20,23).
What are the key properties of 1-[2-(azetidin-1-yl)ethyl]-6-(3-chlorophenyl)-3H-imidazo[4,5-b]pyridin-2-one?
1-[2-(azetidin-1-yl)ethyl]-6-(3-chlorophenyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 328.80 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-1-yl)ethyl]-6-(3-chlorophenyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).