methyl 1-chloro-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate

C14H15ClN2O2S — CID 117248388

IUPACmethyl 1-chloro-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)C1CCc2c(Cl)nc(-c3ccc(C)s3)n2C1
InChIInChI=1S/C14H15ClN2O2S/c1-8-3-6-11(20-8)13-16-12(15)10-5-4-9(7-17(10)13)14(18)19-2/h3,6,9H,4-5,7H2,1-2H3
InChIKeyKZDKISDFQWZRGL-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.31
Rot. Bonds2

About methyl 1-chloro-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate

methyl 1-chloro-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate (PubChem CID 117248388) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is methyl 1-chloro-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-chloro-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
PubChem CID117248388
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Namemethyl 1-chloro-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)C1CCc2c(Cl)nc(-c3ccc(C)s3)n2C1
InChIInChI=1S/C14H15ClN2O2S/c1-8-3-6-11(20-8)13-16-12(15)10-5-4-9(7-17(10)13)14(18)19-2/h3,6,9H,4-5,7H2,1-2H3
InChIKeyKZDKISDFQWZRGL-UHFFFAOYSA-N
XLogP3.31
TPSA44.12 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 ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-chloro-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate with MolForge

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Related Compounds

methyl 1-chloro-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248583
methyl 1-chloro-3-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248379
methyl 3-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-7-carboxylate
CID 136557138
6-methoxycarbonyl-3-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248727
methyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248214
6-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248667
methyl 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248543
methyl (6S)-3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 125450352
methyl 1-chloro-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 137005490
1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
CID 117248747
methyl 1-chloro-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117248986
methyl 3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
CID 117247616

Frequently Asked Questions

What is the IUPAC name of methyl 1-chloro-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 1-chloro-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate (CID 117248388) is methyl 1-chloro-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 1-chloro-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 1-chloro-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate is COC(=O)C1CCc2c(Cl)nc(-c3ccc(C)s3)n2C1.
What is the InChIKey of methyl 1-chloro-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
The InChIKey is KZDKISDFQWZRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-8-3-6-11(20-8)13-16-12(15)10-5-4-9(7-17(10)13)14(18)19-2/h3,6,9H,4-5,7H2,1-2H3.
What are the key properties of methyl 1-chloro-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
methyl 1-chloro-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate has a molecular weight of 310.81 g/mol, XLogP of 3.31, 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-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 117248388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).