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

C14H16N2O2S — CID 117247616

IUPACmethyl 3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)C1CCCc2cnc(-c3ccc(C)s3)n21
InChIInChI=1S/C14H16N2O2S/c1-9-6-7-12(19-9)13-15-8-10-4-3-5-11(16(10)13)14(17)18-2/h6-8,11H,3-5H2,1-2H3
InChIKeyWIKSICCBCCMWJP-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.97
Rot. Bonds2

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

methyl 3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate (PubChem CID 117247616) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is methyl 3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
PubChem CID117247616
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Namemethyl 3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)C1CCCc2cnc(-c3ccc(C)s3)n21
InChIInChI=1S/C14H16N2O2S/c1-9-6-7-12(19-9)13-15-8-10-4-3-5-11(16(10)13)14(17)18-2/h6-8,11H,3-5H2,1-2H3
InChIKeyWIKSICCBCCMWJP-UHFFFAOYSA-N
XLogP2.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-methyl-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117150186
methyl 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
CID 117247825
3-(5-chlorothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol
CID 117150203
6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrazin-4-one
CID 58849747
methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate
CID 103847980
methyl 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
CID 117247803
methyl 3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117142725
methyl 1-chloro-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248388
3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117149368
3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117151518
methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82568086
3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005447

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate (CID 117247616) is methyl 3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate is COC(=O)C1CCCc2cnc(-c3ccc(C)s3)n21.
What is the InChIKey of methyl 3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate?
The InChIKey is WIKSICCBCCMWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-6-7-12(19-9)13-15-8-10-4-3-5-11(16(10)13)14(17)18-2/h6-8,11H,3-5H2,1-2H3.
What are the key properties of methyl 3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate?
methyl 3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 117247616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).