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

C11H10ClN3O — CID 14000415

IUPAC6-chloro-3-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cc(Cl)cnc2n1C1=CCCC1
InChIInChI=1S/C11H10ClN3O/c12-7-5-9-10(13-6-7)15(11(16)14-9)8-3-1-2-4-8/h3,5-6H,1-2,4H2,(H,14,16)
InChIKeyUWGMVHSDDNGCOQ-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.40
Rot. Bonds1

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

6-chloro-3-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 14000415) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 6-chloro-3-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-3-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID14000415
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name6-chloro-3-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cc(Cl)cnc2n1C1=CCCC1
InChIInChI=1S/C11H10ClN3O/c12-7-5-9-10(13-6-7)15(11(16)14-9)8-3-1-2-4-8/h3,5-6H,1-2,4H2,(H,14,16)
InChIKeyUWGMVHSDDNGCOQ-UHFFFAOYSA-N
XLogP2.40
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-3-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-one (CID 14000415) is 6-chloro-3-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-3-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-3-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2cc(Cl)cnc2n1C1=CCCC1.
What is the InChIKey of 6-chloro-3-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is UWGMVHSDDNGCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-7-5-9-10(13-6-7)15(11(16)14-9)8-3-1-2-4-8/h3,5-6H,1-2,4H2,(H,14,16).
What are the key properties of 6-chloro-3-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-one?
6-chloro-3-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 235.67 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 14000415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).