3-[2-fluoro-4-[[5-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]phenoxy]-N-propylpyridine-2-carboxamide

C26H19F7N6O3 — CID 175876574

IUPAC3-[2-fluoro-4-[[5-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]phenoxy]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ncccc1Oc1ccc(NC(=O)c2nnn(-c3ccccc3C(F)(F)F)c2C(F)(F)F)cc1F
InChIInChI=1S/C26H19F7N6O3/c1-2-11-35-23(40)20-19(8-5-12-34-20)42-18-10-9-14(13-16(18)27)36-24(41)21-22(26(31,32)33)39(38-37-21)17-7-4-3-6-15(17)25(28,29)30/h3-10,12-13H,2,11H2,1H3,(H,35,40)(H,36,41)
InChIKeyZZYGTCCRTRANFQ-UHFFFAOYSA-N
MW596.46 g/mol
LogP6.02
Rot. Bonds8

About 3-[2-fluoro-4-[[5-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]phenoxy]-N-propylpyridine-2-carboxamide

3-[2-fluoro-4-[[5-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]phenoxy]-N-propylpyridine-2-carboxamide (PubChem CID 175876574) has the molecular formula C26H19F7N6O3 and a molecular weight of 596.46 g/mol. Its IUPAC name is 3-[2-fluoro-4-[[5-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]phenoxy]-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-[2-fluoro-4-[[5-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]phenoxy]-N-propylpyridine-2-carboxamide
PubChem CID175876574
Molecular FormulaC26H19F7N6O3
Molecular Weight596.46 g/mol
Exact Mass596.14
IUPAC Name3-[2-fluoro-4-[[5-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]phenoxy]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ncccc1Oc1ccc(NC(=O)c2nnn(-c3ccccc3C(F)(F)F)c2C(F)(F)F)cc1F
InChIInChI=1S/C26H19F7N6O3/c1-2-11-35-23(40)20-19(8-5-12-34-20)42-18-10-9-14(13-16(18)27)36-24(41)21-22(26(31,32)33)39(38-37-21)17-7-4-3-6-15(17)25(28,29)30/h3-10,12-13H,2,11H2,1H3,(H,35,40)(H,36,41)
InChIKeyZZYGTCCRTRANFQ-UHFFFAOYSA-N
XLogP6.02
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.46
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide
CID 119629360
3-[[1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249216
N-(3-aminopropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide;hydrochloride
CID 119407882
N-(3,4-dipropoxyphenyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813782
4-butyl-N-[3-fluoro-4-[7-methoxy-6-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-3,5-dioxo-2-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxamide
CID 71738828
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545418
N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-2-(trifluoromethyl)benzamide
CID 166545568
1-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)triazole-4-carboxamide;hydrochloride
CID 119448075
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-isoquinolin-5-yl-5-(trifluoromethyl)triazole-4-carboxamide
CID 166527784
3-(trifluoromethyl)-N-[2-(2,4,6-trifluorophenyl)ethyl]pyridine-2-carboxamide
CID 87057193
2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide
CID 115588705
N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-pyridazin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545376

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-[[5-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]phenoxy]-N-propylpyridine-2-carboxamide?
The IUPAC name of 3-[2-fluoro-4-[[5-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]phenoxy]-N-propylpyridine-2-carboxamide (CID 175876574) is 3-[2-fluoro-4-[[5-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]phenoxy]-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 3-[2-fluoro-4-[[5-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]phenoxy]-N-propylpyridine-2-carboxamide?
The canonical SMILES for 3-[2-fluoro-4-[[5-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]phenoxy]-N-propylpyridine-2-carboxamide is CCCNC(=O)c1ncccc1Oc1ccc(NC(=O)c2nnn(-c3ccccc3C(F)(F)F)c2C(F)(F)F)cc1F.
What is the InChIKey of 3-[2-fluoro-4-[[5-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]phenoxy]-N-propylpyridine-2-carboxamide?
The InChIKey is ZZYGTCCRTRANFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F7N6O3/c1-2-11-35-23(40)20-19(8-5-12-34-20)42-18-10-9-14(13-16(18)27)36-24(41)21-22(26(31,32)33)39(38-37-21)17-7-4-3-6-15(17)25(28,29)30/h3-10,12-13H,2,11H2,1H3,(H,35,40)(H,36,41).
What are the key properties of 3-[2-fluoro-4-[[5-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]phenoxy]-N-propylpyridine-2-carboxamide?
3-[2-fluoro-4-[[5-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]phenoxy]-N-propylpyridine-2-carboxamide has a molecular weight of 596.46 g/mol, XLogP of 6.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-[[5-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]phenoxy]-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 175876574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).