4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(4-chlorophenyl)-4-(isocyanomethyl)piperidine-1-carboxylate;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;ethyl 2-[4-(4-chlorophenyl)-1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]acetate

C120H141BrCl4N24O7 — CID 157064672

About 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(4-chlorophenyl)-4-(isocyanomethyl)piperidine-1-carboxylate;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;ethyl 2-[4-(4-chlorophenyl)-1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]acetate

4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(4-chlorophenyl)-4-(isocyanomethyl)piperidine-1-carboxylate;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;ethyl 2-[4-(4-chlorophenyl)-1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]acetate (PubChem CID 157064672) has the molecular formula C120H141BrCl4N24O7 and a molecular weight of 2253.32 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;tert-butyl 4-(4-chlorophenyl)-4-(isocyanomethyl)piperidine-1-carboxylate;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;ethyl 2-[4-(4-chlorophenyl)-1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]acetate.

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;tert-butyl 4-(4-chlorophenyl)-4-(isocyanomethyl)piperidine-1-carboxylate;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;ethyl 2-[4-(4-chlorophenyl)-1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]acetate
• PubChem CID: 157064672
• Molecular Formula: C120H141BrCl4N24O7
• Molecular Weight: 2253.32 g/mol
• Exact Mass: 2248.94
• IUPAC Name: 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(4-chlorophenyl)-4-(isocyanomethyl)piperidine-1-carboxylate;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;ethyl 2-[4-(4-chlorophenyl)-1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]acetate
• SMILES: CCOC(=O)CC1(c2ccc(Cl)cc2)CCN(c2cccn3nc(Nc4ccc(C(=O)N(C)C5CCN(C)CC5)cc4)nc23)CC1.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(C(=O)OC(C)(C)C)CC1.[C-]#[N+]CC1(c2ccc(Cl)cc2)CCN(c2cccn3nc(Nc4ccc(C(=O)N(C)C5CCN(C)CC5)cc4)nc23)CC1
• InChI: InChI=1S/C35H42ClN7O3.C33H37ClN8O.C20H23BrN6O.C18H23ClN2O2.C14H16ClN/c1-4-46-31(44)24-35(26-9-11-27(36)12-10-26)17-22-42(23-18-35)30-6-5-19-43-32(30)38-34(39-43)37-28-13-7-25(8-14-28)33(45)41(3)29-15-20-40(2)21-16-29;1-35-23-33(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;1-17(2,3)23-16(22)21-11-9-18(10-12-21,13-20-4)14-5-7-15(19)8-6-14;1-16-11-14(9-3-2-4-10-14)12-5-7-13(15)8-6-12/h5-14,19,29H,4,15-18,20-24H2,1-3H3,(H,37,39);4-13,18,28H,14-17,19-23H2,2-3H3,(H,36,38);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);5-8H,9-13H2,1-3H3;5-8H,2-4,9-11H2
• InChIKey: ABSUEYVQESHPRX-UHFFFAOYSA-N
• XLogP: 23.92
• TPSA: 272.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2253.32
LogP ≤ 5	23.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

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;tert-butyl 4-(4-chlorophenyl)-4-(isocyanomethyl)piperidine-1-carboxylate;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;ethyl 2-[4-(4-chlorophenyl)-1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]acetate?

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;tert-butyl 4-(4-chlorophenyl)-4-(isocyanomethyl)piperidine-1-carboxylate;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;ethyl 2-[4-(4-chlorophenyl)-1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]acetate (CID 157064672) is 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(4-chlorophenyl)-4-(isocyanomethyl)piperidine-1-carboxylate;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;ethyl 2-[4-(4-chlorophenyl)-1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]acetate.

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;tert-butyl 4-(4-chlorophenyl)-4-(isocyanomethyl)piperidine-1-carboxylate;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;ethyl 2-[4-(4-chlorophenyl)-1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]acetate?

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;tert-butyl 4-(4-chlorophenyl)-4-(isocyanomethyl)piperidine-1-carboxylate;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;ethyl 2-[4-(4-chlorophenyl)-1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]acetate is CCOC(=O)CC1(c2ccc(Cl)cc2)CCN(c2cccn3nc(Nc4ccc(C(=O)N(C)C5CCN(C)CC5)cc4)nc23)CC1.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(C(=O)OC(C)(C)C)CC1.[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;tert-butyl 4-(4-chlorophenyl)-4-(isocyanomethyl)piperidine-1-carboxylate;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;ethyl 2-[4-(4-chlorophenyl)-1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]acetate?

The InChIKey is ABSUEYVQESHPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42ClN7O3.C33H37ClN8O.C20H23BrN6O.C18H23ClN2O2.C14H16ClN/c1-4-46-31(44)24-35(26-9-11-27(36)12-10-26)17-22-42(23-18-35)30-6-5-19-43-32(30)38-34(39-43)37-28-13-7-25(8-14-28)33(45)41(3)29-15-20-40(2)21-16-29;1-35-23-33(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;1-17(2,3)23-16(22)21-11-9-18(10-12-21,13-20-4)14-5-7-15(19)8-6-14;1-16-11-14(9-3-2-4-10-14)12-5-7-13(15)8-6-12/h5-14,19,29H,4,15-18,20-24H2,1-3H3,(H,37,39);4-13,18,28H,14-17,19-23H2,2-3H3,(H,36,38);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);5-8H,9-13H2,1-3H3;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;tert-butyl 4-(4-chlorophenyl)-4-(isocyanomethyl)piperidine-1-carboxylate;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;ethyl 2-[4-(4-chlorophenyl)-1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]acetate?

4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(4-chlorophenyl)-4-(isocyanomethyl)piperidine-1-carboxylate;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;ethyl 2-[4-(4-chlorophenyl)-1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]acetate has a molecular weight of 2253.32 g/mol, XLogP of 23.92, 24 rotatable bonds, 3 hydrogen bond donors, and 24 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;tert-butyl 4-(4-chlorophenyl)-4-(isocyanomethyl)piperidine-1-carboxylate;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;ethyl 2-[4-(4-chlorophenyl)-1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]acetate is sourced from PubChem (CID 157064672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).