4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoic acid;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N,1-dimethylpiperidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[(8-phenoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;phenol

C72H82Br2N18O6 — CID 158022974

About 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoic acid;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N,1-dimethylpiperidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[(8-phenoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;phenol

4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoic acid;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N,1-dimethylpiperidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[(8-phenoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;phenol (PubChem CID 158022974) has the molecular formula C72H82Br2N18O6 and a molecular weight of 1455.38 g/mol. Its IUPAC name is 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoic acid;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N,1-dimethylpiperidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[(8-phenoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;phenol.

Molecular Properties

• Compound Name: 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoic acid;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N,1-dimethylpiperidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[(8-phenoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;phenol
• PubChem CID: 158022974
• Molecular Formula: C72H82Br2N18O6
• Molecular Weight: 1455.38 g/mol
• Exact Mass: 1452.50
• IUPAC Name: 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoic acid;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N,1-dimethylpiperidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[(8-phenoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;phenol
• SMILES: CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Oc5ccccc5)cccn4n3)cc2)CC1.CNC1CCN(C)CC1.O=C(O)c1ccc(Nc2nc3c(Br)cccn3n2)cc1.Oc1ccccc1
• InChI: InChI=1S/C26H28N6O2.C20H23BrN6O.C13H9BrN4O2.C7H16N2.C6H6O/c1-30-17-14-21(15-18-30)31(2)25(33)19-10-12-20(13-11-19)27-26-28-24-23(9-6-16-32(24)29-26)34-22-7-4-3-5-8-22;1-25-12-9-16(10-13-25)26(2)19(28)14-5-7-15(8-6-14)22-20-23-18-17(21)4-3-11-27(18)24-20;14-10-2-1-7-18-11(10)16-13(17-18)15-9-5-3-8(4-6-9)12(19)20;1-8-7-3-5-9(2)6-4-7;7-6-4-2-1-3-5-6/h3-13,16,21H,14-15,17-18H2,1-2H3,(H,27,29);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);1-7H,(H,15,17)(H,19,20);7-8H,3-6H2,1-2H3;1-5,7H
• InChIKey: FGGSIKCRNDOOIX-UHFFFAOYSA-N
• XLogP: 12.46
• TPSA: 255.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1455.38
LogP ≤ 5	12.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoic acid;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N,1-dimethylpiperidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[(8-phenoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;phenol?

The IUPAC name of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoic acid;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N,1-dimethylpiperidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[(8-phenoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;phenol (CID 158022974) is 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoic acid;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N,1-dimethylpiperidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[(8-phenoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;phenol.

What is the SMILES notation for 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoic acid;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N,1-dimethylpiperidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[(8-phenoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;phenol?

The canonical SMILES for 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoic acid;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N,1-dimethylpiperidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[(8-phenoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;phenol is CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Oc5ccccc5)cccn4n3)cc2)CC1.CNC1CCN(C)CC1.O=C(O)c1ccc(Nc2nc3c(Br)cccn3n2)cc1.Oc1ccccc1.

What is the InChIKey of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoic acid;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N,1-dimethylpiperidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[(8-phenoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;phenol?

The InChIKey is FGGSIKCRNDOOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2.C20H23BrN6O.C13H9BrN4O2.C7H16N2.C6H6O/c1-30-17-14-21(15-18-30)31(2)25(33)19-10-12-20(13-11-19)27-26-28-24-23(9-6-16-32(24)29-26)34-22-7-4-3-5-8-22;1-25-12-9-16(10-13-25)26(2)19(28)14-5-7-15(8-6-14)22-20-23-18-17(21)4-3-11-27(18)24-20;14-10-2-1-7-18-11(10)16-13(17-18)15-9-5-3-8(4-6-9)12(19)20;1-8-7-3-5-9(2)6-4-7;7-6-4-2-1-3-5-6/h3-13,16,21H,14-15,17-18H2,1-2H3,(H,27,29);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);1-7H,(H,15,17)(H,19,20);7-8H,3-6H2,1-2H3;1-5,7H.

What are the key properties of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoic acid;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N,1-dimethylpiperidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[(8-phenoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;phenol?

4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoic acid;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N,1-dimethylpiperidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[(8-phenoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;phenol has a molecular weight of 1455.38 g/mol, XLogP of 12.46, 14 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoic acid;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N,1-dimethylpiperidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[(8-phenoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;phenol is sourced from PubChem (CID 158022974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).