methyl 3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-5-carboxylate

C14H12N2O2S — CID 117142725

IUPACmethyl 3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2cnc(-c3ccc(C)s3)n12
InChIInChI=1S/C14H12N2O2S/c1-9-6-7-12(19-9)13-15-8-10-4-3-5-11(16(10)13)14(17)18-2/h3-8H,1-2H3
InChIKeyVAQISHYJAOFIGR-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.16
Rot. Bonds2

About methyl 3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-5-carboxylate

methyl 3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-5-carboxylate (PubChem CID 117142725) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-5-carboxylate
PubChem CID117142725
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Namemethyl 3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2cnc(-c3ccc(C)s3)n12
InChIInChI=1S/C14H12N2O2S/c1-9-6-7-12(19-9)13-15-8-10-4-3-5-11(16(10)13)14(17)18-2/h3-8H,1-2H3
InChIKeyVAQISHYJAOFIGR-UHFFFAOYSA-N
XLogP3.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridin-5-amine
CID 117141839
methyl 3-tert-butylimidazo[1,5-a]pyridine-5-carboxylate
CID 117142820
methyl 3-cyclopropylimidazo[1,5-a]pyridine-5-carboxylate
CID 117142870
methyl 3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylate
CID 117142874
methyl 3-(3-hydroxypropyl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117142431
methyl 3-[(2-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylate
CID 117142779
methyl 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117142671
methyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 117142818
dimethyl 2,5-bis(5-methylthiophen-2-yl)benzene-1,4-dicarboxylate
CID 58224320
methyl 3-methyl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxylate
CID 44818306
methyl 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 117142735
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 3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-5-carboxylate (CID 117142725) is methyl 3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-5-carboxylate is COC(=O)c1cccc2cnc(-c3ccc(C)s3)n12.
What is the InChIKey of methyl 3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-5-carboxylate?
The InChIKey is VAQISHYJAOFIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-9-6-7-12(19-9)13-15-8-10-4-3-5-11(16(10)13)14(17)18-2/h3-8H,1-2H3.
What are the key properties of methyl 3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-5-carboxylate?
methyl 3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-5-carboxylate has a molecular weight of 272.33 g/mol, XLogP of 3.16, 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)imidazo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 117142725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).