2-[2-(4-fluoroanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-phenylethanol

C20H17FN4O — CID 59276378

IUPAC2-[2-(4-fluoroanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-phenylethanol
SMILESOC(Cc1cccc2nc(Nc3ccc(F)cc3)nn12)c1ccccc1
InChIInChI=1S/C20H17FN4O/c21-15-9-11-16(12-10-15)22-20-23-19-8-4-7-17(25(19)24-20)13-18(26)14-5-2-1-3-6-14/h1-12,18,26H,13H2,(H,22,24)
InChIKeyGCWRXJHRMSKGQZ-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.89
Rot. Bonds5

About 2-[2-(4-fluoroanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-phenylethanol

2-[2-(4-fluoroanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-phenylethanol (PubChem CID 59276378) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-phenylethanol
PubChem CID59276378
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name2-[2-(4-fluoroanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-phenylethanol
SMILESOC(Cc1cccc2nc(Nc3ccc(F)cc3)nn12)c1ccccc1
InChIInChI=1S/C20H17FN4O/c21-15-9-11-16(12-10-15)22-20-23-19-8-4-7-17(25(19)24-20)13-18(26)14-5-2-1-3-6-14/h1-12,18,26H,13H2,(H,22,24)
InChIKeyGCWRXJHRMSKGQZ-UHFFFAOYSA-N
XLogP3.89
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-phenylethanol?
The IUPAC name of 2-[2-(4-fluoroanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-phenylethanol (CID 59276378) is 2-[2-(4-fluoroanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-phenylethanol.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-phenylethanol?
The canonical SMILES for 2-[2-(4-fluoroanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-phenylethanol is OC(Cc1cccc2nc(Nc3ccc(F)cc3)nn12)c1ccccc1.
What is the InChIKey of 2-[2-(4-fluoroanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-phenylethanol?
The InChIKey is GCWRXJHRMSKGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c21-15-9-11-16(12-10-15)22-20-23-19-8-4-7-17(25(19)24-20)13-18(26)14-5-2-1-3-6-14/h1-12,18,26H,13H2,(H,22,24).
What are the key properties of 2-[2-(4-fluoroanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-phenylethanol?
2-[2-(4-fluoroanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-phenylethanol has a molecular weight of 348.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoroanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-phenylethanol is sourced from PubChem (CID 59276378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).