methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate

C17H15ClN2O3S — CID 137368659

IUPACmethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate
SMILESCOC(=O)Cn1cc2c(-c3ccc(OC)cc3Cl)cccn2c1=S
InChIInChI=1S/C17H15ClN2O3S/c1-22-11-5-6-12(14(18)8-11)13-4-3-7-20-15(13)9-19(17(20)24)10-16(21)23-2/h3-9H,10H2,1-2H3
InChIKeyDPVTWPIXUDGMNK-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.97
Rot. Bonds4

About methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate

methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate (PubChem CID 137368659) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate
PubChem CID137368659
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Namemethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate
SMILESCOC(=O)Cn1cc2c(-c3ccc(OC)cc3Cl)cccn2c1=S
InChIInChI=1S/C17H15ClN2O3S/c1-22-11-5-6-12(14(18)8-11)13-4-3-7-20-15(13)9-19(17(20)24)10-16(21)23-2/h3-9H,10H2,1-2H3
InChIKeyDPVTWPIXUDGMNK-UHFFFAOYSA-N
XLogP3.97
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate 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

ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate
CID 137368926
methyl 2-(5-methoxy-2-oxo-1-pyridinyl)acetate
CID 165131409
methyl 2-(3-chloroindol-1-yl)acetate
CID 62805557
ethyl 2-[4-(2-chloro-4-methoxyphenyl)-1,3-dihydroisoindol-2-yl]acetate
CID 137368427
4-chloro-2-methoxyfluoren-9-one;2-(2-chloro-4-methoxyphenyl)benzoic acid
CID 158745717
methyl 4-(2-chloro-4-methoxyanilino)butanoate
CID 115233297
methyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate
CID 3063473
N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110777932
methyl 2-(7-chloro-6-methoxy-4-oxoquinolin-1-yl)acetate
CID 54773108
methyl 2-[2-(2-chlorobenzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate
CID 3389969
1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 134628384
1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene
CID 119001731

Frequently Asked Questions

What is the IUPAC name of methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate?
The IUPAC name of methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate (CID 137368659) is methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate.
What is the SMILES notation for methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate?
The canonical SMILES for methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate is COC(=O)Cn1cc2c(-c3ccc(OC)cc3Cl)cccn2c1=S.
What is the InChIKey of methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate?
The InChIKey is DPVTWPIXUDGMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-22-11-5-6-12(14(18)8-11)13-4-3-7-20-15(13)9-19(17(20)24)10-16(21)23-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate?
methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate has a molecular weight of 362.84 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[8-(2-chloro-4-methoxyphenyl)-3-sulfanylideneimidazo[1,5-a]pyridin-2-yl]acetate is sourced from PubChem (CID 137368659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).