ethyl 6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate

C15H15N5O2 — CID 165131953

IUPACethyl 6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(C3CC3)cc(-n3cnnc3)c2n1
InChIInChI=1S/C15H15N5O2/c1-2-22-15(21)12-7-19-6-11(10-3-4-10)5-13(14(19)18-12)20-8-16-17-9-20/h5-10H,2-4H2,1H3
InChIKeyOVOOFFFGZKRPQY-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.97
Rot. Bonds4

About ethyl 6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 165131953) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is ethyl 6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID165131953
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Nameethyl 6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(C3CC3)cc(-n3cnnc3)c2n1
InChIInChI=1S/C15H15N5O2/c1-2-22-15(21)12-7-19-6-11(10-3-4-10)5-13(14(19)18-12)20-8-16-17-9-20/h5-10H,2-4H2,1H3
InChIKeyOVOOFFFGZKRPQY-UHFFFAOYSA-N
XLogP1.97
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate (CID 165131953) is ethyl 6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(C3CC3)cc(-n3cnnc3)c2n1.
What is the InChIKey of ethyl 6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is OVOOFFFGZKRPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-2-22-15(21)12-7-19-6-11(10-3-4-10)5-13(14(19)18-12)20-8-16-17-9-20/h5-10H,2-4H2,1H3.
What are the key properties of ethyl 6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 297.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 165131953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).