4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-chloro-4-[1-(isocyanomethyl)cyclohexyl]benzene;4-[[8-[4-(4-chlorophenyl)-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C67H76BrCl2N15O2 — CID 157137943

About 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-chloro-4-[1-(isocyanomethyl)cyclohexyl]benzene;4-[[8-[4-(4-chlorophenyl)-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-chloro-4-[1-(isocyanomethyl)cyclohexyl]benzene;4-[[8-[4-(4-chlorophenyl)-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 157137943) has the molecular formula C67H76BrCl2N15O2 and a molecular weight of 1274.26 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;1-chloro-4-[1-(isocyanomethyl)cyclohexyl]benzene;4-[[8-[4-(4-chlorophenyl)-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

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;1-chloro-4-[1-(isocyanomethyl)cyclohexyl]benzene;4-[[8-[4-(4-chlorophenyl)-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
• PubChem CID: 157137943
• Molecular Formula: C67H76BrCl2N15O2
• Molecular Weight: 1274.26 g/mol
• Exact Mass: 1271.49
• IUPAC Name: 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-chloro-4-[1-(isocyanomethyl)cyclohexyl]benzene;4-[[8-[4-(4-chlorophenyl)-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
• SMILES: CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.[C-]#[N+]CC1(c2ccc(Cl)cc2)CCCCC1.[C-]#[N+]CC1(c2ccc(Cl)cc2)CCN(c2cccn3nc(Nc4ccc(C(=O)N(C)C5CCN(C)CC5)cc4)nc23)CC1
• InChI: InChI=1S/C33H37ClN8O.C20H23BrN6O.C14H16ClN/c1-35-23-33(25-8-10-26(34)11-9-25)16-21-41(22-17-33)29-5-4-18-42-30(29)37-32(38-42)36-27-12-6-24(7-13-27)31(43)40(3)28-14-19-39(2)20-15-28;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;1-16-11-14(9-3-2-4-10-14)12-5-7-13(15)8-6-12/h4-13,18,28H,14-17,19-23H2,2-3H3,(H,36,38);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);5-8H,2-4,9-11H2
• InChIKey: AJVRBAQRQAPSOR-UHFFFAOYSA-N
• XLogP: 13.61
• TPSA: 143.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1274.26
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

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;1-chloro-4-[1-(isocyanomethyl)cyclohexyl]benzene;4-[[8-[4-(4-chlorophenyl)-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?

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;1-chloro-4-[1-(isocyanomethyl)cyclohexyl]benzene;4-[[8-[4-(4-chlorophenyl)-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 157137943) is 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-chloro-4-[1-(isocyanomethyl)cyclohexyl]benzene;4-[[8-[4-(4-chlorophenyl)-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

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;1-chloro-4-[1-(isocyanomethyl)cyclohexyl]benzene;4-[[8-[4-(4-chlorophenyl)-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?

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;1-chloro-4-[1-(isocyanomethyl)cyclohexyl]benzene;4-[[8-[4-(4-chlorophenyl)-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.[C-]#[N+]CC1(c2ccc(Cl)cc2)CCCCC1.[C-]#[N+]CC1(c2ccc(Cl)cc2)CCN(c2cccn3nc(Nc4ccc(C(=O)N(C)C5CCN(C)CC5)cc4)nc23)CC1.

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;1-chloro-4-[1-(isocyanomethyl)cyclohexyl]benzene;4-[[8-[4-(4-chlorophenyl)-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?

The InChIKey is AJVRBAQRQAPSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37ClN8O.C20H23BrN6O.C14H16ClN/c1-35-23-33(25-8-10-26(34)11-9-25)16-21-41(22-17-33)29-5-4-18-42-30(29)37-32(38-42)36-27-12-6-24(7-13-27)31(43)40(3)28-14-19-39(2)20-15-28;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;1-16-11-14(9-3-2-4-10-14)12-5-7-13(15)8-6-12/h4-13,18,28H,14-17,19-23H2,2-3H3,(H,36,38);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);5-8H,2-4,9-11H2.

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;1-chloro-4-[1-(isocyanomethyl)cyclohexyl]benzene;4-[[8-[4-(4-chlorophenyl)-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?

4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-chloro-4-[1-(isocyanomethyl)cyclohexyl]benzene;4-[[8-[4-(4-chlorophenyl)-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 1274.26 g/mol, XLogP of 13.61, 13 rotatable bonds, 2 hydrogen bond donors, and 13 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;1-chloro-4-[1-(isocyanomethyl)cyclohexyl]benzene;4-[[8-[4-(4-chlorophenyl)-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 157137943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).