methyl 2-[[2-(2-chloro-4-chlorosulfanyl-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

C21H20Cl2FN3O3S — CID 166775039

IUPACmethyl 2-[[2-(2-chloro-4-chlorosulfanyl-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
SMILESCOC(=O)N1CCOC(Cc2c(-c3cc(F)c(SCl)cc3Cl)nc3cc(C)ccn23)C1
InChIInChI=1S/C21H20Cl2FN3O3S/c1-12-3-4-27-17(8-13-11-26(5-6-30-13)21(28)29-2)20(25-19(27)7-12)14-9-16(24)18(31-23)10-15(14)22/h3-4,7,9-10,13H,5-6,8,11H2,1-2H3
InChIKeyWDWSKOJJXWAKNR-UHFFFAOYSA-N
MW484.38 g/mol
LogP5.36
Rot. Bonds4

About methyl 2-[[2-(2-chloro-4-chlorosulfanyl-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

methyl 2-[[2-(2-chloro-4-chlorosulfanyl-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (PubChem CID 166775039) has the molecular formula C21H20Cl2FN3O3S and a molecular weight of 484.38 g/mol. Its IUPAC name is methyl 2-[[2-(2-chloro-4-chlorosulfanyl-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-chloro-4-chlorosulfanyl-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
PubChem CID166775039
Molecular FormulaC21H20Cl2FN3O3S
Molecular Weight484.38 g/mol
Exact Mass483.06
IUPAC Namemethyl 2-[[2-(2-chloro-4-chlorosulfanyl-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
SMILESCOC(=O)N1CCOC(Cc2c(-c3cc(F)c(SCl)cc3Cl)nc3cc(C)ccn23)C1
InChIInChI=1S/C21H20Cl2FN3O3S/c1-12-3-4-27-17(8-13-11-26(5-6-30-13)21(28)29-2)20(25-19(27)7-12)14-9-16(24)18(31-23)10-15(14)22/h3-4,7,9-10,13H,5-6,8,11H2,1-2H3
InChIKeyWDWSKOJJXWAKNR-UHFFFAOYSA-N
XLogP5.36
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.38
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154965303
(2S)-2-[[2-(4-benzylsulfanyl-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 166769551
tert-butyl 2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 166775129
(2S)-2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175046957
(2S)-2-[[2-(2-chloro-4-chlorosulfonyl-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 166769612
methyl (2S)-2-[[2-[2,6-difluoro-4-(propan-2-ylamino)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 166774868
methyl (2S)-2-[[2-[2,6-difluoro-4-(2-methylphenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154963316
methyl (2S)-2-[[2-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 162354661
methyl 2-[[2-[2,6-difluoro-4-(5-hydroxy-2-pyridinyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 163481632
methyl (2S)-2-[[2-[2,6-difluoro-4-(4-methoxyimidazol-1-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154965015
methyl 2-[[2-(2,6-difluoro-4-methoxycarbonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-oxazepane-4-carboxylate
CID 169277646
methyl 2-[[2-[2,6-difluoro-4-(1-methylpyrrol-2-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154963274

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-chloro-4-chlorosulfanyl-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
The IUPAC name of methyl 2-[[2-(2-chloro-4-chlorosulfanyl-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (CID 166775039) is methyl 2-[[2-(2-chloro-4-chlorosulfanyl-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.
What is the SMILES notation for methyl 2-[[2-(2-chloro-4-chlorosulfanyl-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
The canonical SMILES for methyl 2-[[2-(2-chloro-4-chlorosulfanyl-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is COC(=O)N1CCOC(Cc2c(-c3cc(F)c(SCl)cc3Cl)nc3cc(C)ccn23)C1.
What is the InChIKey of methyl 2-[[2-(2-chloro-4-chlorosulfanyl-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
The InChIKey is WDWSKOJJXWAKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2FN3O3S/c1-12-3-4-27-17(8-13-11-26(5-6-30-13)21(28)29-2)20(25-19(27)7-12)14-9-16(24)18(31-23)10-15(14)22/h3-4,7,9-10,13H,5-6,8,11H2,1-2H3.
What are the key properties of methyl 2-[[2-(2-chloro-4-chlorosulfanyl-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
methyl 2-[[2-(2-chloro-4-chlorosulfanyl-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate has a molecular weight of 484.38 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-chloro-4-chlorosulfanyl-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 166775039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).