N-(2-amino-2-methylpropyl)-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propylbenzamide

C118H122N28O16S5 — CID 158683037

About N-(2-amino-2-methylpropyl)-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propylbenzamide

N-(2-amino-2-methylpropyl)-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propylbenzamide (PubChem CID 158683037) has the molecular formula C118H122N28O16S5 and a molecular weight of 2348.79 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propylbenzamide.

Molecular Properties

• Compound Name: N-(2-amino-2-methylpropyl)-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propylbenzamide
• PubChem CID: 158683037
• Molecular Formula: C118H122N28O16S5
• Molecular Weight: 2348.79 g/mol
• Exact Mass: 2346.82
• IUPAC Name: N-(2-amino-2-methylpropyl)-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propylbenzamide
• SMILES: CC(C)(N)CNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(S(C)(=O)=O)c4)n3n2)cc1.CCCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(S(C)(=O)=O)c4)n3n2)cc1.CN(C)CCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(S(C)(=O)=O)c4)n3n2)cc1.CNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(S(C)(=O)=O)c4)n3n2)cc1.CS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccc(C(=O)NCCN5CCOCC5)cc4)nn23)c1
• InChI: InChI=1S/C26H28N6O4S.2C24H26N6O3S.C23H23N5O3S.C21H19N5O3S/c1-37(34,35)22-5-2-4-20(18-22)23-6-3-7-24-29-26(30-32(23)24)28-21-10-8-19(9-11-21)25(33)27-12-13-31-14-16-36-17-15-31;1-24(2,25)15-26-22(31)16-10-12-18(13-11-16)27-23-28-21-9-5-8-20(30(21)29-23)17-6-4-7-19(14-17)34(3,32)33;1-29(2)15-14-25-23(31)17-10-12-19(13-11-17)26-24-27-22-9-5-8-21(30(22)28-24)18-6-4-7-20(16-18)34(3,32)33;1-3-14-24-22(29)16-10-12-18(13-11-16)25-23-26-21-9-5-8-20(28(21)27-23)17-6-4-7-19(15-17)32(2,30)31;1-22-20(27)14-9-11-16(12-10-14)23-21-24-19-8-4-7-18(26(19)25-21)15-5-3-6-17(13-15)30(2,28)29/h2-11,18H,12-17H2,1H3,(H,27,33)(H,28,30);4-14H,15,25H2,1-3H3,(H,26,31)(H,27,29);4-13,16H,14-15H2,1-3H3,(H,25,31)(H,26,28);4-13,15H,3,14H2,1-2H3,(H,24,29)(H,25,27);3-13H,1-2H3,(H,22,27)(H,23,25)
• InChIKey: IFJOQLDGUTZRTI-UHFFFAOYSA-N
• XLogP: 15.04
• TPSA: 569.03 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 39
• Rotatable Bonds: 35
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2348.79
LogP ≤ 5	15.04
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propylbenzamide?

The IUPAC name of N-(2-amino-2-methylpropyl)-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propylbenzamide (CID 158683037) is N-(2-amino-2-methylpropyl)-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propylbenzamide.

What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propylbenzamide?

The canonical SMILES for N-(2-amino-2-methylpropyl)-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propylbenzamide is CC(C)(N)CNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(S(C)(=O)=O)c4)n3n2)cc1.CCCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(S(C)(=O)=O)c4)n3n2)cc1.CN(C)CCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(S(C)(=O)=O)c4)n3n2)cc1.CNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(S(C)(=O)=O)c4)n3n2)cc1.CS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccc(C(=O)NCCN5CCOCC5)cc4)nn23)c1.

What is the InChIKey of N-(2-amino-2-methylpropyl)-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propylbenzamide?

The InChIKey is IFJOQLDGUTZRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4S.2C24H26N6O3S.C23H23N5O3S.C21H19N5O3S/c1-37(34,35)22-5-2-4-20(18-22)23-6-3-7-24-29-26(30-32(23)24)28-21-10-8-19(9-11-21)25(33)27-12-13-31-14-16-36-17-15-31;1-24(2,25)15-26-22(31)16-10-12-18(13-11-16)27-23-28-21-9-5-8-20(30(21)29-23)17-6-4-7-19(14-17)34(3,32)33;1-29(2)15-14-25-23(31)17-10-12-19(13-11-17)26-24-27-22-9-5-8-21(30(22)28-24)18-6-4-7-20(16-18)34(3,32)33;1-3-14-24-22(29)16-10-12-18(13-11-16)25-23-26-21-9-5-8-20(28(21)27-23)17-6-4-7-19(15-17)32(2,30)31;1-22-20(27)14-9-11-16(12-10-14)23-21-24-19-8-4-7-18(26(19)25-21)15-5-3-6-17(13-15)30(2,28)29/h2-11,18H,12-17H2,1H3,(H,27,33)(H,28,30);4-14H,15,25H2,1-3H3,(H,26,31)(H,27,29);4-13,16H,14-15H2,1-3H3,(H,25,31)(H,26,28);4-13,15H,3,14H2,1-2H3,(H,24,29)(H,25,27);3-13H,1-2H3,(H,22,27)(H,23,25).

What are the key properties of N-(2-amino-2-methylpropyl)-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propylbenzamide?

N-(2-amino-2-methylpropyl)-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propylbenzamide has a molecular weight of 2348.79 g/mol, XLogP of 15.04, 35 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-2-methylpropyl)-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propylbenzamide is sourced from PubChem (CID 158683037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).