ethyl 6-benzylsulfanyl-8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate

C20H19ClN2O2S — CID 178144700

IUPACethyl 6-benzylsulfanyl-8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)nc2c(Cl)cc(SCc3ccccc3)cn12
InChIInChI=1S/C20H19ClN2O2S/c1-2-25-20(24)18-17(14-8-9-14)22-19-16(21)10-15(11-23(18)19)26-12-13-6-4-3-5-7-13/h3-7,10-11,14H,2,8-9,12H2,1H3
InChIKeyIMJBCZVWBDLOOU-UHFFFAOYSA-N
MW386.90 g/mol
LogP5.33
Rot. Bonds6

About ethyl 6-benzylsulfanyl-8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-benzylsulfanyl-8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 178144700) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is ethyl 6-benzylsulfanyl-8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-benzylsulfanyl-8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID178144700
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Nameethyl 6-benzylsulfanyl-8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)nc2c(Cl)cc(SCc3ccccc3)cn12
InChIInChI=1S/C20H19ClN2O2S/c1-2-25-20(24)18-17(14-8-9-14)22-19-16(21)10-15(11-23(18)19)26-12-13-6-4-3-5-7-13/h3-7,10-11,14H,2,8-9,12H2,1H3
InChIKeyIMJBCZVWBDLOOU-UHFFFAOYSA-N
XLogP5.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.90
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-benzylsulfanyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-3-carbohydrazide;ethane
CID 177049442
ethyl 1-benzyl-4-cyclopropylimidazole-2-carboxylate
CID 175214507
diethyl 2-benzylsulfanyl-6,8-dimethylindolizine-1,3-dicarboxylate
CID 101356316
ethyl 2-benzyl-5-cyclopropyl-1,2,4-triazole-3-carboxylate
CID 166121923
ethyl 6-benzylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 178051526
ethyl 1-benzyl-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate
CID 135650098
ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate
CID 67953969
ethyl 2-benzylsulfanyl-1-[(2-benzylsulfanyl-3-ethoxycarbonyl-7-methylindolizin-1-yl)disulfanyl]-7-methylindolizine-3-carboxylate
CID 23661068
ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-cyclopropylquinoline-3-carboxylate
CID 86682929
ethyl 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate
CID 86717925
ethyl 3,6-dibromo-8-cyclopropylimidazo[1,2-a]pyrazine-2-carboxylate
CID 154727950
ethyl 6,8-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate
CID 137355753

Frequently Asked Questions

What is the IUPAC name of ethyl 6-benzylsulfanyl-8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-benzylsulfanyl-8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate (CID 178144700) is ethyl 6-benzylsulfanyl-8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-benzylsulfanyl-8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-benzylsulfanyl-8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C2CC2)nc2c(Cl)cc(SCc3ccccc3)cn12.
What is the InChIKey of ethyl 6-benzylsulfanyl-8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is IMJBCZVWBDLOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c1-2-25-20(24)18-17(14-8-9-14)22-19-16(21)10-15(11-23(18)19)26-12-13-6-4-3-5-7-13/h3-7,10-11,14H,2,8-9,12H2,1H3.
What are the key properties of ethyl 6-benzylsulfanyl-8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-benzylsulfanyl-8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 386.90 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-benzylsulfanyl-8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 178144700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).