6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one

C13H11ClN4O — CID 25093973

IUPAC6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(Cl)cc2n1CCc1cccnc1
InChIInChI=1S/C13H11ClN4O/c14-10-6-11-12(16-8-10)17-13(19)18(11)5-3-9-2-1-4-15-7-9/h1-2,4,6-8H,3,5H2,(H,16,17,19)
InChIKeySNRAMDMQWYJUCX-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.02
Rot. Bonds3

About 6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one

6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 25093973) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID25093973
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(Cl)cc2n1CCc1cccnc1
InChIInChI=1S/C13H11ClN4O/c14-10-6-11-12(16-8-10)17-13(19)18(11)5-3-9-2-1-4-15-7-9/h1-2,4,6-8H,3,5H2,(H,16,17,19)
InChIKeySNRAMDMQWYJUCX-UHFFFAOYSA-N
XLogP2.02
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-(2-methylprop-2-enyl)-3H-imidazo[4,5-b]pyridin-2-one
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2-(2-oxo-6-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-1-yl)acetamide
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CID 62532024
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N-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine
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5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442139
1-methyl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride
CID 141325245
6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 25093973) is 6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncc(Cl)cc2n1CCc1cccnc1.
What is the InChIKey of 6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is SNRAMDMQWYJUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c14-10-6-11-12(16-8-10)17-13(19)18(11)5-3-9-2-1-4-15-7-9/h1-2,4,6-8H,3,5H2,(H,16,17,19).
What are the key properties of 6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 274.71 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 25093973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).