2-(4-fluorophenoxy)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide

C17H14F4N4O2 — CID 18102370

IUPAC2-(4-fluorophenoxy)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NCc1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C17H14F4N4O2/c1-10(27-13-5-3-12(18)4-6-13)16(26)22-8-15-24-23-14-7-2-11(9-25(14)15)17(19,20)21/h2-7,9-10H,8H2,1H3,(H,22,26)
InChIKeyJOJHHGWSDYYWMT-UHFFFAOYSA-N
MW382.32 g/mol
LogP2.97
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide

2-(4-fluorophenoxy)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide (PubChem CID 18102370) has the molecular formula C17H14F4N4O2 and a molecular weight of 382.32 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide
PubChem CID18102370
Molecular FormulaC17H14F4N4O2
Molecular Weight382.32 g/mol
Exact Mass382.11
IUPAC Name2-(4-fluorophenoxy)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NCc1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C17H14F4N4O2/c1-10(27-13-5-3-12(18)4-6-13)16(26)22-8-15-24-23-14-7-2-11(9-25(14)15)17(19,20)21/h2-7,9-10H,8H2,1H3,(H,22,26)
InChIKeyJOJHHGWSDYYWMT-UHFFFAOYSA-N
XLogP2.97
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenoxy)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide with MolForge

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Related Compounds

(2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 40987219
N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 18100245
1-[(4-fluorophenyl)methyl]-1,2-dimethyl-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]guanidine
CID 119132102
2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 43042680
2-[(4-chlorophenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide
CID 42923743
2-(4-fluorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 46420429
(2R)-2-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 1083198
1-cyclopropyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 43655456
(2S)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]acetamide
CID 33480155
1-(3-methylphenyl)-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]urea
CID 31770733
3,5-dimethyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2-oxazole-4-carboxamide
CID 18100268
2-(4-tert-butylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 23474335

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide (CID 18102370) is 2-(4-fluorophenoxy)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide is CC(Oc1ccc(F)cc1)C(=O)NCc1nnc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide?
The InChIKey is JOJHHGWSDYYWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N4O2/c1-10(27-13-5-3-12(18)4-6-13)16(26)22-8-15-24-23-14-7-2-11(9-25(14)15)17(19,20)21/h2-7,9-10H,8H2,1H3,(H,22,26).
What are the key properties of 2-(4-fluorophenoxy)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide?
2-(4-fluorophenoxy)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide has a molecular weight of 382.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide is sourced from PubChem (CID 18102370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).