5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one

C14H17ClN4O — CID 79293535

IUPAC5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one
SMILESCc1ccnc2c1nc(CCl)n2C1CCC(=O)N(C)C1
InChIInChI=1S/C14H17ClN4O/c1-9-5-6-16-14-13(9)17-11(7-15)19(14)10-3-4-12(20)18(2)8-10/h5-6,10H,3-4,7-8H2,1-2H3
InChIKeyMKWKMTUHGDOJDX-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.27
Rot. Bonds2

About 5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one

5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one (PubChem CID 79293535) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one
PubChem CID79293535
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one
SMILESCc1ccnc2c1nc(CCl)n2C1CCC(=O)N(C)C1
InChIInChI=1S/C14H17ClN4O/c1-9-5-6-16-14-13(9)17-11(7-15)19(14)10-3-4-12(20)18(2)8-10/h5-6,10H,3-4,7-8H2,1-2H3
InChIKeyMKWKMTUHGDOJDX-UHFFFAOYSA-N
XLogP2.27
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one?
The IUPAC name of 5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one (CID 79293535) is 5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one is Cc1ccnc2c1nc(CCl)n2C1CCC(=O)N(C)C1.
What is the InChIKey of 5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one?
The InChIKey is MKWKMTUHGDOJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-9-5-6-16-14-13(9)17-11(7-15)19(14)10-3-4-12(20)18(2)8-10/h5-6,10H,3-4,7-8H2,1-2H3.
What are the key properties of 5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one?
5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one has a molecular weight of 292.77 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one is sourced from PubChem (CID 79293535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).