5-(4-fluorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-2-carboxamide

C17H15FN4O2 — CID 126767615

IUPAC5-(4-fluorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-2-carboxamide
SMILESO=C(NC1CCc2ncnn2C1)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H15FN4O2/c18-12-3-1-11(2-4-12)14-6-7-15(24-14)17(23)21-13-5-8-16-19-10-20-22(16)9-13/h1-4,6-7,10,13H,5,8-9H2,(H,21,23)
InChIKeyUJTCYSWVXWHBFP-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.42
Rot. Bonds3

About 5-(4-fluorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-2-carboxamide

5-(4-fluorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-2-carboxamide (PubChem CID 126767615) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-2-carboxamide
PubChem CID126767615
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name5-(4-fluorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-2-carboxamide
SMILESO=C(NC1CCc2ncnn2C1)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H15FN4O2/c18-12-3-1-11(2-4-12)14-6-7-15(24-14)17(23)21-13-5-8-16-19-10-20-22(16)9-13/h1-4,6-7,10,13H,5,8-9H2,(H,21,23)
InChIKeyUJTCYSWVXWHBFP-UHFFFAOYSA-N
XLogP2.42
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-2-carboxamide (CID 126767615) is 5-(4-fluorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-2-carboxamide is O=C(NC1CCc2ncnn2C1)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-2-carboxamide?
The InChIKey is UJTCYSWVXWHBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-12-3-1-11(2-4-12)14-6-7-15(24-14)17(23)21-13-5-8-16-19-10-20-22(16)9-13/h1-4,6-7,10,13H,5,8-9H2,(H,21,23).
What are the key properties of 5-(4-fluorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-2-carboxamide?
5-(4-fluorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-2-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-2-carboxamide is sourced from PubChem (CID 126767615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).