4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(hydroxymethyl)-4-(4,4,4-trifluorobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[1-(4,4,4-trifluorobutyl)cyclohexyl]methanol

C61H82BrF6N13O4 — CID 161285855

About 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(hydroxymethyl)-4-(4,4,4-trifluorobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[1-(4,4,4-trifluorobutyl)cyclohexyl]methanol

4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(hydroxymethyl)-4-(4,4,4-trifluorobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[1-(4,4,4-trifluorobutyl)cyclohexyl]methanol (PubChem CID 161285855) has the molecular formula C61H82BrF6N13O4 and a molecular weight of 1255.31 g/mol. Its IUPAC name is 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(hydroxymethyl)-4-(4,4,4-trifluorobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[1-(4,4,4-trifluorobutyl)cyclohexyl]methanol.

Molecular Properties

• Compound Name: 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(hydroxymethyl)-4-(4,4,4-trifluorobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[1-(4,4,4-trifluorobutyl)cyclohexyl]methanol
• PubChem CID: 161285855
• Molecular Formula: C61H82BrF6N13O4
• Molecular Weight: 1255.31 g/mol
• Exact Mass: 1253.57
• IUPAC Name: 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(hydroxymethyl)-4-(4,4,4-trifluorobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[1-(4,4,4-trifluorobutyl)cyclohexyl]methanol
• SMILES: CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5CCC(CO)(CCCC(F)(F)F)CC5)cccn4n3)cc2)CC1.OCC1(CCCC(F)(F)F)CCCCC1
• InChI: InChI=1S/C30H40F3N7O2.C20H23BrN6O.C11H19F3O/c1-37-17-10-24(11-18-37)38(2)27(42)22-6-8-23(9-7-22)34-28-35-26-25(5-3-16-40(26)36-28)39-19-14-29(21-41,15-20-39)12-4-13-30(31,32)33;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;12-11(13,14)8-4-7-10(9-15)5-2-1-3-6-10/h3,5-9,16,24,41H,4,10-15,17-21H2,1-2H3,(H,34,36);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);15H,1-9H2
• InChIKey: VFSAYYDZGBLCSI-UHFFFAOYSA-N
• XLogP: 12.01
• TPSA: 175.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1255.31
LogP ≤ 5	12.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(hydroxymethyl)-4-(4,4,4-trifluorobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[1-(4,4,4-trifluorobutyl)cyclohexyl]methanol?

The IUPAC name of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(hydroxymethyl)-4-(4,4,4-trifluorobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[1-(4,4,4-trifluorobutyl)cyclohexyl]methanol (CID 161285855) is 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(hydroxymethyl)-4-(4,4,4-trifluorobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[1-(4,4,4-trifluorobutyl)cyclohexyl]methanol.

What is the SMILES notation for 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(hydroxymethyl)-4-(4,4,4-trifluorobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[1-(4,4,4-trifluorobutyl)cyclohexyl]methanol?

The canonical SMILES for 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(hydroxymethyl)-4-(4,4,4-trifluorobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[1-(4,4,4-trifluorobutyl)cyclohexyl]methanol is CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5CCC(CO)(CCCC(F)(F)F)CC5)cccn4n3)cc2)CC1.OCC1(CCCC(F)(F)F)CCCCC1.

What is the InChIKey of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(hydroxymethyl)-4-(4,4,4-trifluorobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[1-(4,4,4-trifluorobutyl)cyclohexyl]methanol?

The InChIKey is VFSAYYDZGBLCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40F3N7O2.C20H23BrN6O.C11H19F3O/c1-37-17-10-24(11-18-37)38(2)27(42)22-6-8-23(9-7-22)34-28-35-26-25(5-3-16-40(26)36-28)39-19-14-29(21-41,15-20-39)12-4-13-30(31,32)33;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;12-11(13,14)8-4-7-10(9-15)5-2-1-3-6-10/h3,5-9,16,24,41H,4,10-15,17-21H2,1-2H3,(H,34,36);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);15H,1-9H2.

What are the key properties of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(hydroxymethyl)-4-(4,4,4-trifluorobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[1-(4,4,4-trifluorobutyl)cyclohexyl]methanol?

4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(hydroxymethyl)-4-(4,4,4-trifluorobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[1-(4,4,4-trifluorobutyl)cyclohexyl]methanol has a molecular weight of 1255.31 g/mol, XLogP of 12.01, 17 rotatable bonds, 4 hydrogen bond donors, and 15 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]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(hydroxymethyl)-4-(4,4,4-trifluorobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[1-(4,4,4-trifluorobutyl)cyclohexyl]methanol is sourced from PubChem (CID 161285855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).