3-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione

C14H15ClN4O2 — CID 79272845

IUPAC3-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione
SMILESCC(Cl)c1nc2cccnc2n1C1CCC(=O)N(C)C1=O
InChIInChI=1S/C14H15ClN4O2/c1-8(15)12-17-9-4-3-7-16-13(9)19(12)10-5-6-11(20)18(2)14(10)21/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyYXKFZCQXZBJTJT-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.05
Rot. Bonds2

About 3-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione

3-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione (PubChem CID 79272845) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione
PubChem CID79272845
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name3-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione
SMILESCC(Cl)c1nc2cccnc2n1C1CCC(=O)N(C)C1=O
InChIInChI=1S/C14H15ClN4O2/c1-8(15)12-17-9-4-3-7-16-13(9)19(12)10-5-6-11(20)18(2)14(10)21/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyYXKFZCQXZBJTJT-UHFFFAOYSA-N
XLogP2.05
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione
CID 79294258
4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79294292
2-(1-chloroethyl)-3-(3,5-dimethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79294182
2-(1-chloroethyl)-3-(2-ethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79294446
3-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-1-methylpyrrolidin-2-one
CID 106259207
3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 79290267
2-(1-chloroethyl)-3-(2,2-dimethyloxan-4-yl)imidazo[4,5-b]pyridine
CID 83028898
2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine
CID 79294151
3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpyrrolidin-2-one
CID 106259196
3-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione
CID 79280501
2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine
CID 79294324
2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine
CID 79290021

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione (CID 79272845) is 3-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione is CC(Cl)c1nc2cccnc2n1C1CCC(=O)N(C)C1=O.
What is the InChIKey of 3-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione?
The InChIKey is YXKFZCQXZBJTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-8(15)12-17-9-4-3-7-16-13(9)19(12)10-5-6-11(20)18(2)14(10)21/h3-4,7-8,10H,5-6H2,1-2H3.
What are the key properties of 3-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione?
3-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione has a molecular weight of 306.75 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 79272845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).