N-(2-aminoethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C71H65F9N18O6 — CID 158263885

IUPACN-(2-aminoethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1.NCCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1.O=C(NC1CCNCC1)c1ccc(Nc2nc3cccc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1
InChIInChI=1S/C25H23F3N6O2.C24H23F3N6O2.C22H19F3N6O2/c26-25(27,28)36-20-4-1-3-17(15-20)21-5-2-6-22-32-24(33-34(21)22)31-18-9-7-16(8-10-18)23(35)30-19-11-13-29-14-12-19;1-32(2)14-13-28-22(34)16-9-11-18(12-10-16)29-23-30-21-8-4-7-20(33(21)31-23)17-5-3-6-19(15-17)35-24(25,26)27;23-22(24,25)33-17-4-1-3-15(13-17)18-5-2-6-19-29-21(30-31(18)19)28-16-9-7-14(8-10-16)20(32)27-12-11-26/h1-10,15,19,29H,11-14H2,(H,30,35)(H,31,33);3-12,15H,13-14H2,1-2H3,(H,28,34)(H,29,31);1-10,13H,11-12,26H2,(H,27,32)(H,28,30)
InChIKeyGIEXEFLUMQTOGH-UHFFFAOYSA-N
MW1437.40 g/mol
LogP12.58
Rot. Bonds21

About N-(2-aminoethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

N-(2-aminoethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 158263885) has the molecular formula C71H65F9N18O6 and a molecular weight of 1437.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID158263885
Molecular FormulaC71H65F9N18O6
Molecular Weight1437.40 g/mol
Exact Mass1436.52
IUPAC NameN-(2-aminoethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1.NCCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1.O=C(NC1CCNCC1)c1ccc(Nc2nc3cccc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1
InChIInChI=1S/C25H23F3N6O2.C24H23F3N6O2.C22H19F3N6O2/c26-25(27,28)36-20-4-1-3-17(15-20)21-5-2-6-22-32-24(33-34(21)22)31-18-9-7-16(8-10-18)23(35)30-19-11-13-29-14-12-19;1-32(2)14-13-28-22(34)16-9-11-18(12-10-16)29-23-30-21-8-4-7-20(33(21)31-23)17-5-3-6-19(15-17)35-24(25,26)27;23-22(24,25)33-17-4-1-3-15(13-17)18-5-2-6-19-29-21(30-31(18)19)28-16-9-7-14(8-10-16)20(32)27-12-11-26/h1-10,15,19,29H,11-14H2,(H,30,35)(H,31,33);3-12,15H,13-14H2,1-2H3,(H,28,34)(H,29,31);1-10,13H,11-12,26H2,(H,27,32)(H,28,30)
InChIKeyGIEXEFLUMQTOGH-UHFFFAOYSA-N
XLogP12.58
TPSA282.94 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001437.40
LogP ≤ 512.58
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze N-(2-aminoethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide with MolForge

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Related Compounds

1H-Indole-2-carboxamide, N-(4-(1-(trans-4-(4-acetyl-1-piperazinyl)cyclohexyl)-4-amino-1H-pyrazolo(3,4-d)pyrimidin-3-yl)-2-methoxyphenyl)-1-methyl-
CID 9549184
N-(4-(1-(1-(1-acetylpiperidin-4-yl)piperidin-4-yl)-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-2-fluoro-4-(trifluoromethyl)benzamide
CID 20817425
N-(4-(1-(1-(1-acetylpiperidin-4-yl)piperidin-4-yl)-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide
CID 22346679
US11440913, Example 336
CID 155074358
N1-{4-[4-amino-1-(4-{[(2-morpholinoethyl)amino]methyl}phenyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}-2-fluoro-4-(trifluoromethyl)benzamide
CID 22347053
N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44554665
N-(2-aminoethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44555512
N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44555513
N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44555514
N-piperidin-4-yl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44556062
N-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44556063
N-(piperidin-4-ylmethyl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44556064

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of N-(2-aminoethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 158263885) is N-(2-aminoethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for N-(2-aminoethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is CN(C)CCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1.NCCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1.O=C(NC1CCNCC1)c1ccc(Nc2nc3cccc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is GIEXEFLUMQTOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O2.C24H23F3N6O2.C22H19F3N6O2/c26-25(27,28)36-20-4-1-3-17(15-20)21-5-2-6-22-32-24(33-34(21)22)31-18-9-7-16(8-10-18)23(35)30-19-11-13-29-14-12-19;1-32(2)14-13-28-22(34)16-9-11-18(12-10-16)29-23-30-21-8-4-7-20(33(21)31-23)17-5-3-6-19(15-17)35-24(25,26)27;23-22(24,25)33-17-4-1-3-15(13-17)18-5-2-6-19-29-21(30-31(18)19)28-16-9-7-14(8-10-16)20(32)27-12-11-26/h1-10,15,19,29H,11-14H2,(H,30,35)(H,31,33);3-12,15H,13-14H2,1-2H3,(H,28,34)(H,29,31);1-10,13H,11-12,26H2,(H,27,32)(H,28,30).
What are the key properties of N-(2-aminoethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
N-(2-aminoethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 1437.40 g/mol, XLogP of 12.58, 21 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 158263885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).