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

C22H15F6N5O — CID 163265598

IUPAC3-(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
SMILESNc1nc2cc(-c3ccc(F)c(C(=O)NCC(F)(F)[C@@H](F)c4ccc(F)cc4)c3F)ccn2n1
InChIInChI=1S/C22H15F6N5O/c23-13-3-1-11(2-4-13)19(26)22(27,28)10-30-20(34)17-15(24)6-5-14(18(17)25)12-7-8-33-16(9-12)31-21(29)32-33/h1-9,19H,10H2,(H2,29,32)(H,30,34)/t19-/m0/s1
InChIKeyYIGLJIBXKXXHAN-IBGZPJMESA-N
MW479.38 g/mol
LogP4.47
Rot. Bonds6

About 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

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 (PubChem CID 163265598) has the molecular formula C22H15F6N5O and a molecular weight of 479.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID163265598
Molecular FormulaC22H15F6N5O
Molecular Weight479.38 g/mol
Exact Mass479.12
IUPAC Name3-(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
SMILESNc1nc2cc(-c3ccc(F)c(C(=O)NCC(F)(F)[C@@H](F)c4ccc(F)cc4)c3F)ccn2n1
InChIInChI=1S/C22H15F6N5O/c23-13-3-1-11(2-4-13)19(26)22(27,28)10-30-20(34)17-15(24)6-5-14(18(17)25)12-7-8-33-16(9-12)31-21(29)32-33/h1-9,19H,10H2,(H2,29,32)(H,30,34)/t19-/m0/s1
InChIKeyYIGLJIBXKXXHAN-IBGZPJMESA-N
XLogP4.47
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.38
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

N-cyclopropyl-3-fluoro-4-methyl-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
CID 25060878
4-Ethyl-N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)-3-(pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide
CID 71550931
3-{6-[2-(2,4-Difluorophenyl)ethyl][1,2,4]triazolo[4,3-A]pyridin-3-Yl}-4-Methylbenzamide
CID 11632560
B-Raf IN 1
CID 24884503
3-(3-Tert-Butyl[1,2,4]triazolo[4,3-A]pyridin-7-Yl)-N-Cyclopropyl-4-Methylbenzamide
CID 25059320
4-(5-((Pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CID 145994823
N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 53234586
US9555022, Example 02.29
CID 54770142
Benzamide, N-cyclopropyl-4-[6-[difluoro(3-fluorophenyl)methyl]-8-[(3,3,3-trifluoropropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methyl-
CID 71735119
N-cyclopropyl-4-[6-[1-(2,3-difluorophenyl)cyclopropyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735441
N-benzyl-4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
CID 156021553
N-(3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)-3-methylbenzamide
CID 7217794

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1nc2cc(-c3ccc(F)c(C(=O)NCC(F)(F)[C@@H](F)c4ccc(F)cc4)c3F)ccn2n1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,6-difluoro-N-[(3S)-2,2,3-trifluoro-3-(4-fluorophenyl)propyl]benzamide?
The InChIKey is YIGLJIBXKXXHAN-IBGZPJMESA-N. The full InChI is InChI=1S/C22H15F6N5O/c23-13-3-1-11(2-4-13)19(26)22(27,28)10-30-20(34)17-15(24)6-5-14(18(17)25)12-7-8-33-16(9-12)31-21(29)32-33/h1-9,19H,10H2,(H2,29,32)(H,30,34)/t19-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 479.38 g/mol, XLogP of 4.47, 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)-2,6-difluoro-N-[(3S)-2,2,3-trifluoro-3-(4-fluorophenyl)propyl]benzamide is sourced from PubChem (CID 163265598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).