N-(2-amino-2-methylpropyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C130H129F15N32O5 — CID 159939435

About N-(2-amino-2-methylpropyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

N-(2-amino-2-methylpropyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 159939435) has the molecular formula C130H129F15N32O5 and a molecular weight of 2504.65 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: N-(2-amino-2-methylpropyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
• PubChem CID: 159939435
• Molecular Formula: C130H129F15N32O5
• Molecular Weight: 2504.65 g/mol
• Exact Mass: 2503.06
• IUPAC Name: N-(2-amino-2-methylpropyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
• SMILES: CC(C)(N)CNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(C(F)(F)F)c4)n3n2)cc1.CN1CCC(NC(=O)c2ccc(Nc3nc4cccc(-c5cccc(C(F)(F)F)c5)n4n3)cc2)CC1.CN1CCN(CCCNC(=O)c2ccc(Nc3nc4cccc(-c5cccc(C(F)(F)F)c5)n4n3)cc2)CC1.CN1CCN(CCNC(=O)c2ccc(Nc3nc4cccc(-c5cccc(C(F)(F)F)c5)n4n3)cc2)CC1.O=C(NC1CCNCC1)c1ccc(Nc2nc3cccc(-c4cccc(C(F)(F)F)c4)n3n2)cc1
• InChI: InChI=1S/C28H30F3N7O.C27H28F3N7O.C26H25F3N6O.C25H23F3N6O.C24H23F3N6O/c1-36-15-17-37(18-16-36)14-4-13-32-26(39)20-9-11-23(12-10-20)33-27-34-25-8-3-7-24(38(25)35-27)21-5-2-6-22(19-21)28(29,30)31;1-35-14-16-36(17-15-35)13-12-31-25(38)19-8-10-22(11-9-19)32-26-33-24-7-3-6-23(37(24)34-26)20-4-2-5-21(18-20)27(28,29)30;1-34-14-12-21(13-15-34)30-24(36)17-8-10-20(11-9-17)31-25-32-23-7-3-6-22(35(23)33-25)18-4-2-5-19(16-18)26(27,28)29;26-25(27,28)18-4-1-3-17(15-18)21-5-2-6-22-32-24(33-34(21)22)31-19-9-7-16(8-10-19)23(35)30-20-11-13-29-14-12-20;1-23(2,28)14-29-21(34)15-9-11-18(12-10-15)30-22-31-20-8-4-7-19(33(20)32-22)16-5-3-6-17(13-16)24(25,26)27/h2-3,5-12,19H,4,13-18H2,1H3,(H,32,39)(H,33,35);2-11,18H,12-17H2,1H3,(H,31,38)(H,32,34);2-11,16,21H,12-15H2,1H3,(H,30,36)(H,31,33);1-10,15,20,29H,11-14H2,(H,30,35)(H,31,33);3-13H,14,28H2,1-2H3,(H,29,34)(H,30,32)
• InChIKey: OARKRALRDSHYLZ-UHFFFAOYSA-N
• XLogP: 22.91
• TPSA: 410.85 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2504.65
LogP ≤ 5	22.91
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?

The IUPAC name of N-(2-amino-2-methylpropyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 159939435) is N-(2-amino-2-methylpropyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?

The canonical SMILES for N-(2-amino-2-methylpropyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is CC(C)(N)CNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(C(F)(F)F)c4)n3n2)cc1.CN1CCC(NC(=O)c2ccc(Nc3nc4cccc(-c5cccc(C(F)(F)F)c5)n4n3)cc2)CC1.CN1CCN(CCCNC(=O)c2ccc(Nc3nc4cccc(-c5cccc(C(F)(F)F)c5)n4n3)cc2)CC1.CN1CCN(CCNC(=O)c2ccc(Nc3nc4cccc(-c5cccc(C(F)(F)F)c5)n4n3)cc2)CC1.O=C(NC1CCNCC1)c1ccc(Nc2nc3cccc(-c4cccc(C(F)(F)F)c4)n3n2)cc1.

What is the InChIKey of N-(2-amino-2-methylpropyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?

The InChIKey is OARKRALRDSHYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N7O.C27H28F3N7O.C26H25F3N6O.C25H23F3N6O.C24H23F3N6O/c1-36-15-17-37(18-16-36)14-4-13-32-26(39)20-9-11-23(12-10-20)33-27-34-25-8-3-7-24(38(25)35-27)21-5-2-6-22(19-21)28(29,30)31;1-35-14-16-36(17-15-35)13-12-31-25(38)19-8-10-22(11-9-19)32-26-33-24-7-3-6-23(37(24)34-26)20-4-2-5-21(18-20)27(28,29)30;1-34-14-12-21(13-15-34)30-24(36)17-8-10-20(11-9-17)31-25-32-23-7-3-6-22(35(23)33-25)18-4-2-5-19(16-18)26(27,28)29;26-25(27,28)18-4-1-3-17(15-18)21-5-2-6-22-32-24(33-34(21)22)31-19-9-7-16(8-10-19)23(35)30-20-11-13-29-14-12-20;1-23(2,28)14-29-21(34)15-9-11-18(12-10-15)30-22-31-20-8-4-7-19(33(20)32-22)16-5-3-6-17(13-16)24(25,26)27/h2-3,5-12,19H,4,13-18H2,1H3,(H,32,39)(H,33,35);2-11,18H,12-17H2,1H3,(H,31,38)(H,32,34);2-11,16,21H,12-15H2,1H3,(H,30,36)(H,31,33);1-10,15,20,29H,11-14H2,(H,30,35)(H,31,33);3-13H,14,28H2,1-2H3,(H,29,34)(H,30,32).

What are the key properties of N-(2-amino-2-methylpropyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?

N-(2-amino-2-methylpropyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 2504.65 g/mol, XLogP of 22.91, 31 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-2-methylpropyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 159939435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).