[4-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]methanol

C21H23F3N4O — CID 59276405

IUPAC[4-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]methanol
SMILESOCC1CCC(Cc2cccc3nc(Nc4ccc(C(F)(F)F)cc4)nn23)CC1
InChIInChI=1S/C21H23F3N4O/c22-21(23,24)16-8-10-17(11-9-16)25-20-26-19-3-1-2-18(28(19)27-20)12-14-4-6-15(13-29)7-5-14/h1-3,8-11,14-15,29H,4-7,12-13H2,(H,25,27)
InChIKeyHILKJFFICXZOBS-UHFFFAOYSA-N
MW404.44 g/mol
LogP4.83
Rot. Bonds5

About [4-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]methanol

[4-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]methanol (PubChem CID 59276405) has the molecular formula C21H23F3N4O and a molecular weight of 404.44 g/mol. Its IUPAC name is [4-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]methanol
PubChem CID59276405
Molecular FormulaC21H23F3N4O
Molecular Weight404.44 g/mol
Exact Mass404.18
IUPAC Name[4-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]methanol
SMILESOCC1CCC(Cc2cccc3nc(Nc4ccc(C(F)(F)F)cc4)nn23)CC1
InChIInChI=1S/C21H23F3N4O/c22-21(23,24)16-8-10-17(11-9-16)25-20-26-19-3-1-2-18(28(19)27-20)12-14-4-6-15(13-29)7-5-14/h1-3,8-11,14-15,29H,4-7,12-13H2,(H,25,27)
InChIKeyHILKJFFICXZOBS-UHFFFAOYSA-N
XLogP4.83
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]methanol?
The IUPAC name of [4-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]methanol (CID 59276405) is [4-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]methanol?
The canonical SMILES for [4-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]methanol is OCC1CCC(Cc2cccc3nc(Nc4ccc(C(F)(F)F)cc4)nn23)CC1.
What is the InChIKey of [4-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]methanol?
The InChIKey is HILKJFFICXZOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O/c22-21(23,24)16-8-10-17(11-9-16)25-20-26-19-3-1-2-18(28(19)27-20)12-14-4-6-15(13-29)7-5-14/h1-3,8-11,14-15,29H,4-7,12-13H2,(H,25,27).
What are the key properties of [4-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]methanol?
[4-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]methanol has a molecular weight of 404.44 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]methanol is sourced from PubChem (CID 59276405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).