2-[5-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(4-phenylphenyl)ethanone

C24H17N3O2 — CID 159900505

IUPAC2-[5-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(4-phenylphenyl)ethanone
SMILESO=C(Cc1nc2cccc(-c3ccoc3)n2n1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H17N3O2/c28-22(19-11-9-18(10-12-19)17-5-2-1-3-6-17)15-23-25-24-8-4-7-21(27(24)26-23)20-13-14-29-16-20/h1-14,16H,15H2
InChIKeyNVWXDKJDQWZEHO-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.08
Rot. Bonds5

About 2-[5-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(4-phenylphenyl)ethanone

2-[5-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(4-phenylphenyl)ethanone (PubChem CID 159900505) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[5-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-[5-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(4-phenylphenyl)ethanone
PubChem CID159900505
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC Name2-[5-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(4-phenylphenyl)ethanone
SMILESO=C(Cc1nc2cccc(-c3ccoc3)n2n1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H17N3O2/c28-22(19-11-9-18(10-12-19)17-5-2-1-3-6-17)15-23-25-24-8-4-7-21(27(24)26-23)20-13-14-29-16-20/h1-14,16H,15H2
InChIKeyNVWXDKJDQWZEHO-UHFFFAOYSA-N
XLogP5.08
TPSA60.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(4-phenylphenyl)ethanone?
The IUPAC name of 2-[5-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(4-phenylphenyl)ethanone (CID 159900505) is 2-[5-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(4-phenylphenyl)ethanone.
What is the SMILES notation for 2-[5-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(4-phenylphenyl)ethanone?
The canonical SMILES for 2-[5-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(4-phenylphenyl)ethanone is O=C(Cc1nc2cccc(-c3ccoc3)n2n1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[5-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(4-phenylphenyl)ethanone?
The InChIKey is NVWXDKJDQWZEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2/c28-22(19-11-9-18(10-12-19)17-5-2-1-3-6-17)15-23-25-24-8-4-7-21(27(24)26-23)20-13-14-29-16-20/h1-14,16H,15H2.
What are the key properties of 2-[5-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(4-phenylphenyl)ethanone?
2-[5-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(4-phenylphenyl)ethanone has a molecular weight of 379.42 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-(4-phenylphenyl)ethanone is sourced from PubChem (CID 159900505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).