3-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione

C14H15ClN4O2 — CID 79280501

IUPAC3-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione
SMILESCc1ccnc2c1nc(C(C)Cl)n2C1CCC(=O)NC1=O
InChIInChI=1S/C14H15ClN4O2/c1-7-5-6-16-13-11(7)18-12(8(2)15)19(13)9-3-4-10(20)17-14(9)21/h5-6,8-9H,3-4H2,1-2H3,(H,17,20,21)
InChIKeyJPXCLBKMLJFBPZ-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.02
Rot. Bonds2

About 3-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione

3-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione (PubChem CID 79280501) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione
PubChem CID79280501
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name3-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione
SMILESCc1ccnc2c1nc(C(C)Cl)n2C1CCC(=O)NC1=O
InChIInChI=1S/C14H15ClN4O2/c1-7-5-6-16-13-11(7)18-12(8(2)15)19(13)9-3-4-10(20)17-14(9)21/h5-6,8-9H,3-4H2,1-2H3,(H,17,20,21)
InChIKeyJPXCLBKMLJFBPZ-UHFFFAOYSA-N
XLogP2.02
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.02
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione (CID 79280501) is 3-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione is Cc1ccnc2c1nc(C(C)Cl)n2C1CCC(=O)NC1=O.
What is the InChIKey of 3-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione?
The InChIKey is JPXCLBKMLJFBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-7-5-6-16-13-11(7)18-12(8(2)15)19(13)9-3-4-10(20)17-14(9)21/h5-6,8-9H,3-4H2,1-2H3,(H,17,20,21).
What are the key properties of 3-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione?
3-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione has a molecular weight of 306.75 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 79280501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).