6-chloro-3-(cyclopenten-1-yl)-1-methylimidazo[4,5-b]pyridin-2-one

C12H12ClN3O — CID 14000419

IUPAC6-chloro-3-(cyclopenten-1-yl)-1-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(C2=CCCC2)c2ncc(Cl)cc21
InChIInChI=1S/C12H12ClN3O/c1-15-10-6-8(13)7-14-11(10)16(12(15)17)9-4-2-3-5-9/h4,6-7H,2-3,5H2,1H3
InChIKeyOHHVIFUAYPUAGM-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.41
Rot. Bonds1

About 6-chloro-3-(cyclopenten-1-yl)-1-methylimidazo[4,5-b]pyridin-2-one

6-chloro-3-(cyclopenten-1-yl)-1-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 14000419) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 6-chloro-3-(cyclopenten-1-yl)-1-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-3-(cyclopenten-1-yl)-1-methylimidazo[4,5-b]pyridin-2-one
PubChem CID14000419
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name6-chloro-3-(cyclopenten-1-yl)-1-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(C2=CCCC2)c2ncc(Cl)cc21
InChIInChI=1S/C12H12ClN3O/c1-15-10-6-8(13)7-14-11(10)16(12(15)17)9-4-2-3-5-9/h4,6-7H,2-3,5H2,1H3
InChIKeyOHHVIFUAYPUAGM-UHFFFAOYSA-N
XLogP2.41
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(cyclopenten-1-yl)-1-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-3-(cyclopenten-1-yl)-1-methylimidazo[4,5-b]pyridin-2-one (CID 14000419) is 6-chloro-3-(cyclopenten-1-yl)-1-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-3-(cyclopenten-1-yl)-1-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-3-(cyclopenten-1-yl)-1-methylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(C2=CCCC2)c2ncc(Cl)cc21.
What is the InChIKey of 6-chloro-3-(cyclopenten-1-yl)-1-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is OHHVIFUAYPUAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-15-10-6-8(13)7-14-11(10)16(12(15)17)9-4-2-3-5-9/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 6-chloro-3-(cyclopenten-1-yl)-1-methylimidazo[4,5-b]pyridin-2-one?
6-chloro-3-(cyclopenten-1-yl)-1-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 249.70 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(cyclopenten-1-yl)-1-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 14000419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).