1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol

C18H17F5N4O — CID 134611345

IUPAC1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(C)(O)C(Nc1cc(C(F)F)cc2ncnn12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F5N4O/c1-17(2,28)15(10-3-5-12(6-4-10)18(21,22)23)26-14-8-11(16(19)20)7-13-24-9-25-27(13)14/h3-9,15-16,26,28H,1-2H3
InChIKeyPYLVEDWUARSFQR-UHFFFAOYSA-N
MW400.35 g/mol
LogP4.61
Rot. Bonds5

About 1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol

1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 134611345) has the molecular formula C18H17F5N4O and a molecular weight of 400.35 g/mol. Its IUPAC name is 1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID134611345
Molecular FormulaC18H17F5N4O
Molecular Weight400.35 g/mol
Exact Mass400.13
IUPAC Name1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(C)(O)C(Nc1cc(C(F)F)cc2ncnn12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F5N4O/c1-17(2,28)15(10-3-5-12(6-4-10)18(21,22)23)26-14-8-11(16(19)20)7-13-24-9-25-27(13)14/h3-9,15-16,26,28H,1-2H3
InChIKeyPYLVEDWUARSFQR-UHFFFAOYSA-N
XLogP4.61
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-methyl-1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-2-ol
CID 134611491
(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol
CID 134611411
N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
CID 135133777
[1-[[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] hypofluorite
CID 145221169
5-[[4-(1,1-difluoroethyl)phenyl]-fluoromethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 176699765
2,2,2-trifluoro-N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
CID 122703321
N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 134611347
5-[[[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]-1H-pyrazole-3-carboxylic acid
CID 166317085
3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]benzoic acid
CID 60893887
2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol
CID 79016422
1-tert-butyl-3-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 165377879
1-[(2S)-3,3-dimethylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 134170918

Frequently Asked Questions

What is the IUPAC name of 1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol (CID 134611345) is 1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol is CC(C)(O)C(Nc1cc(C(F)F)cc2ncnn12)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is PYLVEDWUARSFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F5N4O/c1-17(2,28)15(10-3-5-12(6-4-10)18(21,22)23)26-14-8-11(16(19)20)7-13-24-9-25-27(13)14/h3-9,15-16,26,28H,1-2H3.
What are the key properties of 1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 400.35 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 134611345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).