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

C14H18ClN3S — CID 107297298

IUPAC2-(1-chloroethyl)-7-methyl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(C(C)Cl)n2CC1CCSC1
InChIInChI=1S/C14H18ClN3S/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
InChIKeyYBMPZIIBASKVRM-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.79
Rot. Bonds3

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

2-(1-chloroethyl)-7-methyl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 107297298) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 2-(1-chloroethyl)-7-methyl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-7-methyl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID107297298
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name2-(1-chloroethyl)-7-methyl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(C(C)Cl)n2CC1CCSC1
InChIInChI=1S/C14H18ClN3S/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
InChIKeyYBMPZIIBASKVRM-UHFFFAOYSA-N
XLogP3.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 79293889
2-(1-chloroethyl)-5-fluoro-6-methyl-1-(thiolan-3-ylmethyl)benzimidazole
CID 107297304
2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293719
2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]acetamide
CID 79293274
2-(1-chloroethyl)-3-(2-methoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine
CID 104763448
4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine
CID 79276323
2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293421
2-(1-chloroethyl)-7-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine
CID 79275874
N-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylbutan-2-amine
CID 106004828
5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420358

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-7-methyl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-7-methyl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine (CID 107297298) is 2-(1-chloroethyl)-7-methyl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-7-methyl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-7-methyl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine is Cc1ccnc2c1nc(C(C)Cl)n2CC1CCSC1.
What is the InChIKey of 2-(1-chloroethyl)-7-methyl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is YBMPZIIBASKVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/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-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine?
2-(1-chloroethyl)-7-methyl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 295.84 g/mol, XLogP of 3.79, 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-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 107297298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).