ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate

C19H19ClN2O3S — CID 137368926

IUPACethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate
SMILESCCOC(=O)Cc1nc2c(-c3ccc(OC)cc3Cl)cccn2c1SC
InChIInChI=1S/C19H19ClN2O3S/c1-4-25-17(23)11-16-19(26-3)22-9-5-6-14(18(22)21-16)13-8-7-12(24-2)10-15(13)20/h5-10H,4,11H2,1-3H3
InChIKeyDCNVHKJHTVFGEF-UHFFFAOYSA-N
MW390.89 g/mol
LogP4.49
Rot. Bonds6

About ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate

ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate (PubChem CID 137368926) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate
PubChem CID137368926
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC Nameethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate
SMILESCCOC(=O)Cc1nc2c(-c3ccc(OC)cc3Cl)cccn2c1SC
InChIInChI=1S/C19H19ClN2O3S/c1-4-25-17(23)11-16-19(26-3)22-9-5-6-14(18(22)21-16)13-8-7-12(24-2)10-15(13)20/h5-10H,4,11H2,1-3H3
InChIKeyDCNVHKJHTVFGEF-UHFFFAOYSA-N
XLogP4.49
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[8-chloro-3-(cyanomethyl)imidazo[1,2-a]pyridin-2-yl]acetate
CID 82529282
ethyl 2-[4-(2-chloro-4-methoxyphenyl)-1,3-dihydroisoindol-2-yl]acetate
CID 137368427
ethyl 2-[3-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]acetate
CID 156579945
methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate
CID 137368659
ethyl 4-(2-chloro-4-methoxyphenyl)but-3-ynoate
CID 170471109
ethyl 3-(2-chloro-4-methoxyphenyl)-4-ethyl-1H-pyrrole-2-carboxylate
CID 155906970
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate
CID 132539637
ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate
CID 58972926
ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
CID 1206883
ethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate
CID 59385171

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate?
The IUPAC name of ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate (CID 137368926) is ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate?
The canonical SMILES for ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate is CCOC(=O)Cc1nc2c(-c3ccc(OC)cc3Cl)cccn2c1SC.
What is the InChIKey of ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate?
The InChIKey is DCNVHKJHTVFGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-4-25-17(23)11-16-19(26-3)22-9-5-6-14(18(22)21-16)13-8-7-12(24-2)10-15(13)20/h5-10H,4,11H2,1-3H3.
What are the key properties of ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate?
ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate has a molecular weight of 390.89 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate is sourced from PubChem (CID 137368926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).