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

C10H11N3O — CID 83857685

IUPAC3-(1H-imidazo[4,5-b]pyridin-2-yl)butan-2-one
SMILESCC(=O)C(C)c1nc2ncccc2[nH]1
InChIInChI=1S/C10H11N3O/c1-6(7(2)14)9-12-8-4-3-5-11-10(8)13-9/h3-6H,1-2H3,(H,11,12,13)
InChIKeyZTKFRJMUHUINEK-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.65
Rot. Bonds2

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

3-(1H-imidazo[4,5-b]pyridin-2-yl)butan-2-one (PubChem CID 83857685) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-(1H-imidazo[4,5-b]pyridin-2-yl)butan-2-one.

Molecular Properties

Compound Name3-(1H-imidazo[4,5-b]pyridin-2-yl)butan-2-one
PubChem CID83857685
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name3-(1H-imidazo[4,5-b]pyridin-2-yl)butan-2-one
SMILESCC(=O)C(C)c1nc2ncccc2[nH]1
InChIInChI=1S/C10H11N3O/c1-6(7(2)14)9-12-8-4-3-5-11-10(8)13-9/h3-6H,1-2H3,(H,11,12,13)
InChIKeyZTKFRJMUHUINEK-UHFFFAOYSA-N
XLogP1.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-2-yl)butan-2-one?
The IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-2-yl)butan-2-one (CID 83857685) is 3-(1H-imidazo[4,5-b]pyridin-2-yl)butan-2-one.
What is the SMILES notation for 3-(1H-imidazo[4,5-b]pyridin-2-yl)butan-2-one?
The canonical SMILES for 3-(1H-imidazo[4,5-b]pyridin-2-yl)butan-2-one is CC(=O)C(C)c1nc2ncccc2[nH]1.
What is the InChIKey of 3-(1H-imidazo[4,5-b]pyridin-2-yl)butan-2-one?
The InChIKey is ZTKFRJMUHUINEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-6(7(2)14)9-12-8-4-3-5-11-10(8)13-9/h3-6H,1-2H3,(H,11,12,13).
What are the key properties of 3-(1H-imidazo[4,5-b]pyridin-2-yl)butan-2-one?
3-(1H-imidazo[4,5-b]pyridin-2-yl)butan-2-one has a molecular weight of 189.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazo[4,5-b]pyridin-2-yl)butan-2-one is sourced from PubChem (CID 83857685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).