methyl 2-[(4-thiophen-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate

C16H13N5O2S — CID 167913159

IUPACmethyl 2-[(4-thiophen-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(Cn3cc(-c4ccsc4)nn3)cn12
InChIInChI=1S/C16H13N5O2S/c1-23-16(22)14-3-2-4-15-17-12(8-21(14)15)7-20-9-13(18-19-20)11-5-6-24-10-11/h2-6,8-10H,7H2,1H3
InChIKeyKCZVVSYGQUVJDK-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.49
Rot. Bonds4

About methyl 2-[(4-thiophen-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate

methyl 2-[(4-thiophen-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate (PubChem CID 167913159) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is methyl 2-[(4-thiophen-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-thiophen-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate
PubChem CID167913159
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC Namemethyl 2-[(4-thiophen-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(Cn3cc(-c4ccsc4)nn3)cn12
InChIInChI=1S/C16H13N5O2S/c1-23-16(22)14-3-2-4-15-17-12(8-21(14)15)7-20-9-13(18-19-20)11-5-6-24-10-11/h2-6,8-10H,7H2,1H3
InChIKeyKCZVVSYGQUVJDK-UHFFFAOYSA-N
XLogP2.49
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-thiophen-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The IUPAC name of methyl 2-[(4-thiophen-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate (CID 167913159) is methyl 2-[(4-thiophen-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-[(4-thiophen-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-[(4-thiophen-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate is COC(=O)c1cccc2nc(Cn3cc(-c4ccsc4)nn3)cn12.
What is the InChIKey of methyl 2-[(4-thiophen-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The InChIKey is KCZVVSYGQUVJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c1-23-16(22)14-3-2-4-15-17-12(8-21(14)15)7-20-9-13(18-19-20)11-5-6-24-10-11/h2-6,8-10H,7H2,1H3.
What are the key properties of methyl 2-[(4-thiophen-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
methyl 2-[(4-thiophen-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate has a molecular weight of 339.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-thiophen-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate is sourced from PubChem (CID 167913159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).