methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-6-carboxylate

C14H15ClN2O2S — CID 117251063

IUPACmethyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2c(Cl)nc(C3CCSCC3)n2c1
InChIInChI=1S/C14H15ClN2O2S/c1-19-14(18)10-2-3-11-12(15)16-13(17(11)8-10)9-4-6-20-7-5-9/h2-3,8-9H,4-7H2,1H3
InChIKeyQBALUVWBGCJUCN-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.38
Rot. Bonds2

About methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-6-carboxylate

methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-6-carboxylate (PubChem CID 117251063) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-6-carboxylate
PubChem CID117251063
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Namemethyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2c(Cl)nc(C3CCSCC3)n2c1
InChIInChI=1S/C14H15ClN2O2S/c1-19-14(18)10-2-3-11-12(15)16-13(17(11)8-10)9-4-6-20-7-5-9/h2-3,8-9H,4-7H2,1H3
InChIKeyQBALUVWBGCJUCN-UHFFFAOYSA-N
XLogP3.38
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-6-carboxylate 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

methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117252222
methyl 1-chloro-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117251573
1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridin-7-amine
CID 117251665
1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117251569
1-(3-cyclopropyl-1-methylimidazo[1,5-a]pyridin-6-yl)ethanone
CID 83886344
1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-6-yl)ethanone
CID 83904650
methyl 8-chloro-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 105393648
methyl 1-chloro-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117248986
1-(3-cyclobutyl-1-methylimidazo[1,5-a]pyridin-6-yl)ethanone
CID 83893261
methyl 7,9-dichloro-8-hydroxy-6-oxoquinolizine-3-carboxylate
CID 54729564
methyl 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140201
methyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117257174

Frequently Asked Questions

What is the IUPAC name of methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-6-carboxylate (CID 117251063) is methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-6-carboxylate is COC(=O)c1ccc2c(Cl)nc(C3CCSCC3)n2c1.
What is the InChIKey of methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-6-carboxylate?
The InChIKey is QBALUVWBGCJUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-19-14(18)10-2-3-11-12(15)16-13(17(11)8-10)9-4-6-20-7-5-9/h2-3,8-9H,4-7H2,1H3.
What are the key properties of methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-6-carboxylate?
methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-6-carboxylate has a molecular weight of 310.81 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 117251063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).