2-(2-chloroethyl)-5-methoxy-3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine

C15H21ClN4O — CID 115322724

IUPAC2-(2-chloroethyl)-5-methoxy-3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCCl)n(C3CCN(C)CC3)c2n1
InChIInChI=1S/C15H21ClN4O/c1-19-9-6-11(7-10-19)20-13(5-8-16)17-12-3-4-14(21-2)18-15(12)20/h3-4,11H,5-10H2,1-2H3
InChIKeyQAFQXCJLDRCMIO-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.49
Rot. Bonds4

About 2-(2-chloroethyl)-5-methoxy-3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine

2-(2-chloroethyl)-5-methoxy-3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine (PubChem CID 115322724) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-methoxy-3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-methoxy-3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine
PubChem CID115322724
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name2-(2-chloroethyl)-5-methoxy-3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCCl)n(C3CCN(C)CC3)c2n1
InChIInChI=1S/C15H21ClN4O/c1-19-9-6-11(7-10-19)20-13(5-8-16)17-12-3-4-14(21-2)18-15(12)20/h3-4,11H,5-10H2,1-2H3
InChIKeyQAFQXCJLDRCMIO-UHFFFAOYSA-N
XLogP2.49
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine
CID 115322701
2-(2-chloroethyl)-5-methoxy-3-(3-methylcyclobutyl)imidazo[4,5-b]pyridine
CID 113467325
3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115323096
2-(2-chloroethyl)-3-(2-cyclopropylethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 113286951
3-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-1-methylpyrrolidin-2-one
CID 106259151
2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine
CID 81135670
2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 115322925
2-(chloromethyl)-5-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 115322890
2-(2-chloroethyl)-5-methoxy-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 115323175
2-(chloromethyl)-3-(2,3-dimethylcyclohexyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115322587
2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methoxyimidazo[4,5-b]pyridine
CID 115323122
2-(2-chloroethyl)-3-(1,4-dioxan-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115322790

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-methoxy-3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-5-methoxy-3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine (CID 115322724) is 2-(2-chloroethyl)-5-methoxy-3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-5-methoxy-3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-5-methoxy-3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine is COc1ccc2nc(CCCl)n(C3CCN(C)CC3)c2n1.
What is the InChIKey of 2-(2-chloroethyl)-5-methoxy-3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine?
The InChIKey is QAFQXCJLDRCMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-19-9-6-11(7-10-19)20-13(5-8-16)17-12-3-4-14(21-2)18-15(12)20/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-5-methoxy-3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-5-methoxy-3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine has a molecular weight of 308.81 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-methoxy-3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 115322724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).