N-[(1S)-2-methyl-1-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]-2-phenoxypropanamide

C20H21F3N4O2 — CID 44765776

IUPACN-[(1S)-2-methyl-1-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)N[C@H](c1nnc2c(C(F)(F)F)cccn12)C(C)C
InChIInChI=1S/C20H21F3N4O2/c1-12(2)16(24-19(28)13(3)29-14-8-5-4-6-9-14)18-26-25-17-15(20(21,22)23)10-7-11-27(17)18/h4-13,16H,1-3H3,(H,24,28)/t13?,16-/m0/s1
InChIKeyHUECJOXYZOWQIS-VYIIXAMBSA-N
MW406.41 g/mol
LogP4.03
Rot. Bonds6

About N-[(1S)-2-methyl-1-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]-2-phenoxypropanamide

N-[(1S)-2-methyl-1-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]-2-phenoxypropanamide (PubChem CID 44765776) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]-2-phenoxypropanamide
PubChem CID44765776
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC NameN-[(1S)-2-methyl-1-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)N[C@H](c1nnc2c(C(F)(F)F)cccn12)C(C)C
InChIInChI=1S/C20H21F3N4O2/c1-12(2)16(24-19(28)13(3)29-14-8-5-4-6-9-14)18-26-25-17-15(20(21,22)23)10-7-11-27(17)18/h4-13,16H,1-3H3,(H,24,28)/t13?,16-/m0/s1
InChIKeyHUECJOXYZOWQIS-VYIIXAMBSA-N
XLogP4.03
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-2-methyl-1-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]-2-phenoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Repotrectinib
CID 135565923
2-(3,4-dimethylphenoxy)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 7711146
2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]oxy-N-(1-pyridin-3-ylethyl)acetamide
CID 67209575
2-[1-methyl-3-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide
CID 70818984
(6-Ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)(4-(2-(trifluoromethyl)phenyl)piperidin-1-yl)methanone
CID 118872320
US10246466, Example 20
CID 91826251
US10246466, Example 42
CID 118256553
US10246466, Example 43
CID 118265484
US10246466, Example 45
CID 124166793
US10246466, Example 51-1
CID 136953040
US10246466, Example 92
CID 136953056
US10246466, Example 51
CID 137013234

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]-2-phenoxypropanamide?
The IUPAC name of N-[(1S)-2-methyl-1-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]-2-phenoxypropanamide (CID 44765776) is N-[(1S)-2-methyl-1-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]-2-phenoxypropanamide?
The canonical SMILES for N-[(1S)-2-methyl-1-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)N[C@H](c1nnc2c(C(F)(F)F)cccn12)C(C)C.
What is the InChIKey of N-[(1S)-2-methyl-1-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]-2-phenoxypropanamide?
The InChIKey is HUECJOXYZOWQIS-VYIIXAMBSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c1-12(2)16(24-19(28)13(3)29-14-8-5-4-6-9-14)18-26-25-17-15(20(21,22)23)10-7-11-27(17)18/h4-13,16H,1-3H3,(H,24,28)/t13?,16-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]-2-phenoxypropanamide?
N-[(1S)-2-methyl-1-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]-2-phenoxypropanamide has a molecular weight of 406.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]-2-phenoxypropanamide is sourced from PubChem (CID 44765776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).