3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2,2,3-trifluoro-3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)benzamide

C23H15F8N5O — CID 167035520

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2,2,3-trifluoro-3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)benzamide
SMILESNc1nc2cc(-c3ccc(C(F)(F)F)c(C(=O)NCC(F)(F)C(F)c4ccc(F)cc4)c3F)ccn2n1
InChIInChI=1S/C23H15F8N5O/c24-13-3-1-11(2-4-13)19(26)22(27,28)10-33-20(37)17-15(23(29,30)31)6-5-14(18(17)25)12-7-8-36-16(9-12)34-21(32)35-36/h1-9,19H,10H2,(H2,32,35)(H,33,37)
InChIKeyUZEWSZMSQHVOEF-UHFFFAOYSA-N
MW529.39 g/mol
LogP5.35
Rot. Bonds6

About 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2,2,3-trifluoro-3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)benzamide

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2,2,3-trifluoro-3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)benzamide (PubChem CID 167035520) has the molecular formula C23H15F8N5O and a molecular weight of 529.39 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2,2,3-trifluoro-3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2,2,3-trifluoro-3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)benzamide
PubChem CID167035520
Molecular FormulaC23H15F8N5O
Molecular Weight529.39 g/mol
Exact Mass529.11
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2,2,3-trifluoro-3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)benzamide
SMILESNc1nc2cc(-c3ccc(C(F)(F)F)c(C(=O)NCC(F)(F)C(F)c4ccc(F)cc4)c3F)ccn2n1
InChIInChI=1S/C23H15F8N5O/c24-13-3-1-11(2-4-13)19(26)22(27,28)10-33-20(37)17-15(23(29,30)31)6-5-14(18(17)25)12-7-8-36-16(9-12)34-21(32)35-36/h1-9,19H,10H2,(H2,32,35)(H,33,37)
InChIKeyUZEWSZMSQHVOEF-UHFFFAOYSA-N
XLogP5.35
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.39
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2,2,3-trifluoro-3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)benzamide with MolForge

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Related Compounds

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,6-difluoro-N-[(3S)-2,2,3-trifluoro-3-(4-fluorophenyl)propyl]benzamide
CID 163265598
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
CID 164740500
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-2-fluoro-6-(fluoromethyl)benzamide
CID 163265736
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[(3R)-3-(2,4-difluorophenyl)-2,2-difluoro-3-hydroxypropyl]-2-fluorobenzamide
CID 166595915
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-dichlorophenyl)-2,2-difluoro-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
CID 170548804
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)butyl]benzamide
CID 167001640
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[(2S,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide;sulfane
CID 164998508
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[2,2-difluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypropyl]-2-fluoro-6-methoxybenzamide
CID 169003940
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 164740525
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2-prop-1-en-2-ylpentyl]-6-methylbenzamide
CID 176959799
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[(3R)-2,2-difluoro-3-hydroxy-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]-2-fluorobenzamide
CID 166596135
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[(3S)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]benzamide
CID 166596348

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2,2,3-trifluoro-3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)benzamide?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2,2,3-trifluoro-3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)benzamide (CID 167035520) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2,2,3-trifluoro-3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2,2,3-trifluoro-3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2,2,3-trifluoro-3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)benzamide is Nc1nc2cc(-c3ccc(C(F)(F)F)c(C(=O)NCC(F)(F)C(F)c4ccc(F)cc4)c3F)ccn2n1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2,2,3-trifluoro-3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)benzamide?
The InChIKey is UZEWSZMSQHVOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F8N5O/c24-13-3-1-11(2-4-13)19(26)22(27,28)10-33-20(37)17-15(23(29,30)31)6-5-14(18(17)25)12-7-8-36-16(9-12)34-21(32)35-36/h1-9,19H,10H2,(H2,32,35)(H,33,37).
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2,2,3-trifluoro-3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)benzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2,2,3-trifluoro-3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)benzamide has a molecular weight of 529.39 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2,2,3-trifluoro-3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 167035520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).