bis(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;bis(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

C92H107Br3N24O8 — CID 157103877

About bis(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;bis(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

bis(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;bis(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 157103877) has the molecular formula C92H107Br3N24O8 and a molecular weight of 1916.74 g/mol. Its IUPAC name is bis(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;bis(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: bis(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;bis(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: 157103877
• Molecular Formula: C92H107Br3N24O8
• Molecular Weight: 1916.74 g/mol
• Exact Mass: 1912.63
• IUPAC Name: bis(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;bis(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.CNC1CCN(C)CC1.O=C(O)c1ccc(Nc2nc3c(Br)cccn3n2)cc1.O=C(O)c1ccc(Nc2nc3c(Br)cccn3n2)cc1.Oc1ccccc1
• InChI: InChI=1S/C26H28N6O2.C20H23BrN6O.2C13H9BrN4O2.2C7H16N2.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;2*14-10-2-1-7-18-11(10)16-13(17-18)15-9-5-3-8(4-6-9)12(19)20;2*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);2*1-7H,(H,15,17)(H,19,20);2*7-8H,3-6H2,1-2H3;1-5,7H
• InChIKey: AGBPSOMDSQUJSL-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 350.58 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1916.74
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of bis(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;bis(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 bis(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;bis(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 157103877) is bis(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;bis(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 bis(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;bis(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 bis(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;bis(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.CNC1CCN(C)CC1.O=C(O)c1ccc(Nc2nc3c(Br)cccn3n2)cc1.O=C(O)c1ccc(Nc2nc3c(Br)cccn3n2)cc1.Oc1ccccc1.

What is the InChIKey of bis(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;bis(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 AGBPSOMDSQUJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2.C20H23BrN6O.2C13H9BrN4O2.2C7H16N2.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;2*14-10-2-1-7-18-11(10)16-13(17-18)15-9-5-3-8(4-6-9)12(19)20;2*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);2*1-7H,(H,15,17)(H,19,20);2*7-8H,3-6H2,1-2H3;1-5,7H.

What are the key properties of bis(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;bis(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?

bis(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;bis(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 1916.74 g/mol, XLogP of 15.69, 18 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for bis(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;bis(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 157103877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).