N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(4-methoxyphenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-propyl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C125H126F9N29O12S — CID 157382080

About N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(4-methoxyphenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-propyl-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;5-(4-methoxyphenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-propyl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 157382080) has the molecular formula C125H126F9N29O12S and a molecular weight of 2429.62 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(4-methoxyphenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-propyl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(4-methoxyphenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-propyl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
• PubChem CID: 157382080
• Molecular Formula: C125H126F9N29O12S
• Molecular Weight: 2429.62 g/mol
• Exact Mass: 2427.97
• IUPAC Name: N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(4-methoxyphenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-propyl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
• SMILES: CCCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1.CN(C)CCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1.COc1ccc(-c2cccc3nc(Nc4ccc(CNCCN5CCOCC5)cc4)nn23)cc1.CS(=O)(=O)c1ccc(-c2cccc3nc(Nc4ccc(C(=O)NCCCN5CCOCC5)cc4)nn23)cc1.O=C(NC1CCNCC1)c1ccc(Nc2nc3cccc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1
• InChI: InChI=1S/C27H30N6O4S.C26H30N6O2.C25H23F3N6O2.C24H23F3N6O2.C23H20F3N5O2/c1-38(35,36)23-12-8-20(9-13-23)24-4-2-5-25-30-27(31-33(24)25)29-22-10-6-21(7-11-22)26(34)28-14-3-15-32-16-18-37-19-17-32;1-33-23-11-7-21(8-12-23)24-3-2-4-25-29-26(30-32(24)25)28-22-9-5-20(6-10-22)19-27-13-14-31-15-17-34-18-16-31;26-25(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;1-2-13-27-21(32)15-9-11-17(12-10-15)28-22-29-20-8-4-7-19(31(20)30-22)16-5-3-6-18(14-16)33-23(24,25)26/h2,4-13H,3,14-19H2,1H3,(H,28,34)(H,29,31);2-12,27H,13-19H2,1H3,(H,28,30);1-10,15,19,29H,11-14H2,(H,30,35)(H,31,33);3-12,15H,13-14H2,1-2H3,(H,28,34)(H,29,31);3-12,14H,2,13H2,1H3,(H,27,32)(H,28,30)
• InChIKey: BKZQGYBNBZTDIT-UHFFFAOYSA-N
• XLogP: 20.59
• TPSA: 450.80 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 39
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2429.62
LogP ≤ 5	20.59
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(4-methoxyphenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-propyl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(4-methoxyphenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-propyl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 157382080) is N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(4-methoxyphenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-propyl-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-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(4-methoxyphenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-propyl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(4-methoxyphenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-propyl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is CCCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1.CN(C)CCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1.COc1ccc(-c2cccc3nc(Nc4ccc(CNCCN5CCOCC5)cc4)nn23)cc1.CS(=O)(=O)c1ccc(-c2cccc3nc(Nc4ccc(C(=O)NCCCN5CCOCC5)cc4)nn23)cc1.O=C(NC1CCNCC1)c1ccc(Nc2nc3cccc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(4-methoxyphenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-propyl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?

The InChIKey is BKZQGYBNBZTDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O4S.C26H30N6O2.C25H23F3N6O2.C24H23F3N6O2.C23H20F3N5O2/c1-38(35,36)23-12-8-20(9-13-23)24-4-2-5-25-30-27(31-33(24)25)29-22-10-6-21(7-11-22)26(34)28-14-3-15-32-16-18-37-19-17-32;1-33-23-11-7-21(8-12-23)24-3-2-4-25-29-26(30-32(24)25)28-22-9-5-20(6-10-22)19-27-13-14-31-15-17-34-18-16-31;26-25(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;1-2-13-27-21(32)15-9-11-17(12-10-15)28-22-29-20-8-4-7-19(31(20)30-22)16-5-3-6-18(14-16)33-23(24,25)26/h2,4-13H,3,14-19H2,1H3,(H,28,34)(H,29,31);2-12,27H,13-19H2,1H3,(H,28,30);1-10,15,19,29H,11-14H2,(H,30,35)(H,31,33);3-12,15H,13-14H2,1-2H3,(H,28,34)(H,29,31);3-12,14H,2,13H2,1H3,(H,27,32)(H,28,30).

What are the key properties of N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(4-methoxyphenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-propyl-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;5-(4-methoxyphenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-propyl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 2429.62 g/mol, XLogP of 20.59, 39 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(4-methoxyphenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-piperidin-4-yl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-propyl-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 157382080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).