3,4-dimethylimidazo[4,5-b]pyridin-7-one

C8H9N3O — CID 139493632

IUPAC3,4-dimethylimidazo[4,5-b]pyridin-7-one
SMILESCn1ccc(=O)c2ncn(C)c21
InChIInChI=1S/C8H9N3O/c1-10-4-3-6(12)7-8(10)11(2)5-9-7/h3-5H,1-2H3
InChIKeyUEQKCRWBKKVPIU-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.27
Rot. Bonds

About 3,4-dimethylimidazo[4,5-b]pyridin-7-one

3,4-dimethylimidazo[4,5-b]pyridin-7-one (PubChem CID 139493632) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 3,4-dimethylimidazo[4,5-b]pyridin-7-one.

Molecular Properties

Compound Name3,4-dimethylimidazo[4,5-b]pyridin-7-one
PubChem CID139493632
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name3,4-dimethylimidazo[4,5-b]pyridin-7-one
SMILESCn1ccc(=O)c2ncn(C)c21
InChIInChI=1S/C8H9N3O/c1-10-4-3-6(12)7-8(10)11(2)5-9-7/h3-5H,1-2H3
InChIKeyUEQKCRWBKKVPIU-UHFFFAOYSA-N
XLogP0.27
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylimidazo[4,5-b]pyridin-7-one?
The IUPAC name of 3,4-dimethylimidazo[4,5-b]pyridin-7-one (CID 139493632) is 3,4-dimethylimidazo[4,5-b]pyridin-7-one.
What is the SMILES notation for 3,4-dimethylimidazo[4,5-b]pyridin-7-one?
The canonical SMILES for 3,4-dimethylimidazo[4,5-b]pyridin-7-one is Cn1ccc(=O)c2ncn(C)c21.
What is the InChIKey of 3,4-dimethylimidazo[4,5-b]pyridin-7-one?
The InChIKey is UEQKCRWBKKVPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-10-4-3-6(12)7-8(10)11(2)5-9-7/h3-5H,1-2H3.
What are the key properties of 3,4-dimethylimidazo[4,5-b]pyridin-7-one?
3,4-dimethylimidazo[4,5-b]pyridin-7-one has a molecular weight of 163.18 g/mol, XLogP of 0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylimidazo[4,5-b]pyridin-7-one is sourced from PubChem (CID 139493632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).