3-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylpropan-1-one

C15H21N5O — CID 82151411

IUPAC3-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylpropan-1-one
SMILESCc1cnc2c(c1)nc(C)n2CCC(=O)N1CCNCC1
InChIInChI=1S/C15H21N5O/c1-11-9-13-15(17-10-11)20(12(2)18-13)6-3-14(21)19-7-4-16-5-8-19/h9-10,16H,3-8H2,1-2H3
InChIKeyNLZFPZUADIMBGF-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.87
Rot. Bonds3

About 3-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylpropan-1-one

3-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 82151411) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID82151411
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylpropan-1-one
SMILESCc1cnc2c(c1)nc(C)n2CCC(=O)N1CCNCC1
InChIInChI=1S/C15H21N5O/c1-11-9-13-15(17-10-11)20(12(2)18-13)6-3-14(21)19-7-4-16-5-8-19/h9-10,16H,3-8H2,1-2H3
InChIKeyNLZFPZUADIMBGF-UHFFFAOYSA-N
XLogP0.87
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylpropan-1-one (CID 82151411) is 3-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylpropan-1-one is Cc1cnc2c(c1)nc(C)n2CCC(=O)N1CCNCC1.
What is the InChIKey of 3-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is NLZFPZUADIMBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-9-13-15(17-10-11)20(12(2)18-13)6-3-14(21)19-7-4-16-5-8-19/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 3-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylpropan-1-one?
3-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 287.37 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82151411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).