ethyl 1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate

C16H16FN5O2 — CID 139488111

IUPACethyl 1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate
SMILESCCOC(=O)c1cn(Cc2cn3cc(C4CC4)cc(F)c3n2)nn1
InChIInChI=1S/C16H16FN5O2/c1-2-24-16(23)14-9-22(20-19-14)8-12-7-21-6-11(10-3-4-10)5-13(17)15(21)18-12/h5-7,9-10H,2-4,8H2,1H3
InChIKeyHYUOFQTWZPTOIW-UHFFFAOYSA-N
MW329.34 g/mol
LogP2.17
Rot. Bonds5

About ethyl 1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate

ethyl 1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate (PubChem CID 139488111) has the molecular formula C16H16FN5O2 and a molecular weight of 329.34 g/mol. Its IUPAC name is ethyl 1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate
PubChem CID139488111
Molecular FormulaC16H16FN5O2
Molecular Weight329.34 g/mol
Exact Mass329.13
IUPAC Nameethyl 1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate
SMILESCCOC(=O)c1cn(Cc2cn3cc(C4CC4)cc(F)c3n2)nn1
InChIInChI=1S/C16H16FN5O2/c1-2-24-16(23)14-9-22(20-19-14)8-12-7-21-6-11(10-3-4-10)5-13(17)15(21)18-12/h5-7,9-10H,2-4,8H2,1H3
InChIKeyHYUOFQTWZPTOIW-UHFFFAOYSA-N
XLogP2.17
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate?
The IUPAC name of ethyl 1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate (CID 139488111) is ethyl 1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate?
The canonical SMILES for ethyl 1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate is CCOC(=O)c1cn(Cc2cn3cc(C4CC4)cc(F)c3n2)nn1.
What is the InChIKey of ethyl 1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate?
The InChIKey is HYUOFQTWZPTOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2/c1-2-24-16(23)14-9-22(20-19-14)8-12-7-21-6-11(10-3-4-10)5-13(17)15(21)18-12/h5-7,9-10H,2-4,8H2,1H3.
What are the key properties of ethyl 1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate?
ethyl 1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate has a molecular weight of 329.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate is sourced from PubChem (CID 139488111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).