2-(1-chloroethyl)-7-methyl-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine

C14H18ClN3O — CID 79293889

IUPAC2-(1-chloroethyl)-7-methyl-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(C(C)Cl)n2CC1CCOC1
InChIInChI=1S/C14H18ClN3O/c1-9-3-5-16-14-12(9)17-13(10(2)15)18(14)7-11-4-6-19-8-11/h3,5,10-11H,4,6-8H2,1-2H3
InChIKeyCGZWARRWMPLNMC-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.08
Rot. Bonds3

About 2-(1-chloroethyl)-7-methyl-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine

2-(1-chloroethyl)-7-methyl-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 79293889) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(1-chloroethyl)-7-methyl-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-7-methyl-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID79293889
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-(1-chloroethyl)-7-methyl-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(C(C)Cl)n2CC1CCOC1
InChIInChI=1S/C14H18ClN3O/c1-9-3-5-16-14-12(9)17-13(10(2)15)18(14)7-11-4-6-19-8-11/h3,5,10-11H,4,6-8H2,1-2H3
InChIKeyCGZWARRWMPLNMC-UHFFFAOYSA-N
XLogP3.08
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-chloroethyl)-7-methyl-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-chloroethyl)-3-(cyclohexylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79294089
2-(1-chloroethyl)-7-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79277491
2-(1-chloroethyl)-7-methyl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 107297298
4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine
CID 79276323
2-(1-chloroethyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 79295118
2-(1-chloroethyl)-5-methyl-3-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 81136315
2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293719
2-(1-chloroethyl)-3-(2-methoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine
CID 104763448
2-(1-chloroethyl)-5-fluoro-6-methyl-1-(oxolan-3-ylmethyl)benzimidazole
CID 103593678
5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420358
3-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole
CID 106407354
2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293421

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-7-methyl-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-7-methyl-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine (CID 79293889) is 2-(1-chloroethyl)-7-methyl-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-7-methyl-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-7-methyl-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine is Cc1ccnc2c1nc(C(C)Cl)n2CC1CCOC1.
What is the InChIKey of 2-(1-chloroethyl)-7-methyl-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is CGZWARRWMPLNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-9-3-5-16-14-12(9)17-13(10(2)15)18(14)7-11-4-6-19-8-11/h3,5,10-11H,4,6-8H2,1-2H3.
What are the key properties of 2-(1-chloroethyl)-7-methyl-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine?
2-(1-chloroethyl)-7-methyl-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 279.77 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-7-methyl-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79293889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).