4,6-dimethyl-1H-imidazo[4,5-b]pyridin-2-one

C8H9N3O — CID 67808154

IUPAC4,6-dimethyl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCc1cc2[nH]c(=O)nc-2n(C)c1
InChIInChI=1S/C8H9N3O/c1-5-3-6-7(11(2)4-5)10-8(12)9-6/h3-4H,1-2H3,(H,9,12)
InChIKeyCABIAEZIVXLVKC-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.52
Rot. Bonds

About 4,6-dimethyl-1H-imidazo[4,5-b]pyridin-2-one

4,6-dimethyl-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 67808154) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 4,6-dimethyl-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID67808154
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name4,6-dimethyl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCc1cc2[nH]c(=O)nc-2n(C)c1
InChIInChI=1S/C8H9N3O/c1-5-3-6-7(11(2)4-5)10-8(12)9-6/h3-4H,1-2H3,(H,9,12)
InChIKeyCABIAEZIVXLVKC-UHFFFAOYSA-N
XLogP0.52
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 4,6-dimethyl-1H-imidazo[4,5-b]pyridin-2-one (CID 67808154) is 4,6-dimethyl-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-1H-imidazo[4,5-b]pyridin-2-one is Cc1cc2[nH]c(=O)nc-2n(C)c1.
What is the InChIKey of 4,6-dimethyl-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is CABIAEZIVXLVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-5-3-6-7(11(2)4-5)10-8(12)9-6/h3-4H,1-2H3,(H,9,12).
What are the key properties of 4,6-dimethyl-1H-imidazo[4,5-b]pyridin-2-one?
4,6-dimethyl-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 163.18 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 67808154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).