N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propylimidazole-4-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-4-carboxamide

C118H159Cl2F3N54O8 — CID 161115018

About N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propylimidazole-4-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-4-carboxamide

N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propylimidazole-4-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-4-carboxamide (PubChem CID 161115018) has the molecular formula C118H159Cl2F3N54O8 and a molecular weight of 2589.84 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propylimidazole-4-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propylimidazole-4-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-4-carboxamide
• PubChem CID: 161115018
• Molecular Formula: C118H159Cl2F3N54O8
• Molecular Weight: 2589.84 g/mol
• Exact Mass: 2587.30
• IUPAC Name: N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propylimidazole-4-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-4-carboxamide
• SMILES: CCCNC(=O)c1cnc(Nc2nc(CC)nc(NCCN(C)C)n2)n1C.CCNC(=O)c1cnc(Nc2nc(CC)nc(NCCN(C)C)n2)n1C.CCc1nc(Nc2ncc(C(=O)NC(C)C)n2C)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ncc(C(=O)NC3CC3)n2C)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(c3ccccc3)CC2)n1
• InChI: InChI=1S/C25H23ClF3N9O2.C24H24ClN9O2.C18H27N9O.C18H29N9O.C17H29N9O.C16H27N9O/c1-14-5-3-8-18(26)19(14)32-20(39)21-35-36-24(40-21)34-22-30-15(2)31-23(33-22)38-11-9-37(10-12-38)17-7-4-6-16(13-17)25(27,28)29;1-15-7-6-10-18(25)19(15)28-20(35)21-31-32-24(36-21)30-22-26-16(2)27-23(29-22)34-13-11-33(12-14-34)17-8-4-3-5-9-17;1-4-14-21-16(24-18(22-14)27-9-7-25(2)8-10-27)23-17-19-11-13(26(17)3)15(28)20-12-5-6-12;1-6-14-21-16(24-18(22-14)27-9-7-25(4)8-10-27)23-17-19-11-13(26(17)5)15(28)20-12(2)3;1-6-8-18-14(27)12-11-20-17(26(12)5)24-16-22-13(7-2)21-15(23-16)19-9-10-25(3)4;1-6-12-20-14(18-8-9-24(3)4)22-15(21-12)23-16-19-10-11(25(16)5)13(26)17-7-2/h3-8,13H,9-12H2,1-2H3,(H,32,39)(H,30,31,33,34,36);3-10H,11-14H2,1-2H3,(H,28,35)(H,26,27,29,30,32);11-12H,4-10H2,1-3H3,(H,20,28)(H,19,21,22,23,24);11-12H,6-10H2,1-5H3,(H,20,28)(H,19,21,22,23,24);11H,6-10H2,1-5H3,(H,18,27)(H2,19,20,21,22,23,24);10H,6-9H2,1-5H3,(H,17,26)(H2,18,19,20,21,22,23)
• InChIKey: UKEWJOQSLBVGFZ-UHFFFAOYSA-N
• XLogP: 11.73
• TPSA: 684.38 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 56
• Rotatable Bonds: 43
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2589.84
LogP ≤ 5	11.73
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propylimidazole-4-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-4-carboxamide?

The IUPAC name of N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propylimidazole-4-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-4-carboxamide (CID 161115018) is N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propylimidazole-4-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-4-carboxamide.

What is the SMILES notation for N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propylimidazole-4-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-4-carboxamide?

The canonical SMILES for N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propylimidazole-4-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-4-carboxamide is CCCNC(=O)c1cnc(Nc2nc(CC)nc(NCCN(C)C)n2)n1C.CCNC(=O)c1cnc(Nc2nc(CC)nc(NCCN(C)C)n2)n1C.CCc1nc(Nc2ncc(C(=O)NC(C)C)n2C)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ncc(C(=O)NC3CC3)n2C)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(c3ccccc3)CC2)n1.

What is the InChIKey of N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propylimidazole-4-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-4-carboxamide?

The InChIKey is UKEWJOQSLBVGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF3N9O2.C24H24ClN9O2.C18H27N9O.C18H29N9O.C17H29N9O.C16H27N9O/c1-14-5-3-8-18(26)19(14)32-20(39)21-35-36-24(40-21)34-22-30-15(2)31-23(33-22)38-11-9-37(10-12-38)17-7-4-6-16(13-17)25(27,28)29;1-15-7-6-10-18(25)19(15)28-20(35)21-31-32-24(36-21)30-22-26-16(2)27-23(29-22)34-13-11-33(12-14-34)17-8-4-3-5-9-17;1-4-14-21-16(24-18(22-14)27-9-7-25(2)8-10-27)23-17-19-11-13(26(17)3)15(28)20-12-5-6-12;1-6-14-21-16(24-18(22-14)27-9-7-25(4)8-10-27)23-17-19-11-13(26(17)5)15(28)20-12(2)3;1-6-8-18-14(27)12-11-20-17(26(12)5)24-16-22-13(7-2)21-15(23-16)19-9-10-25(3)4;1-6-12-20-14(18-8-9-24(3)4)22-15(21-12)23-16-19-10-11(25(16)5)13(26)17-7-2/h3-8,13H,9-12H2,1-2H3,(H,32,39)(H,30,31,33,34,36);3-10H,11-14H2,1-2H3,(H,28,35)(H,26,27,29,30,32);11-12H,4-10H2,1-3H3,(H,20,28)(H,19,21,22,23,24);11-12H,6-10H2,1-5H3,(H,20,28)(H,19,21,22,23,24);11H,6-10H2,1-5H3,(H,18,27)(H2,19,20,21,22,23,24);10H,6-9H2,1-5H3,(H,17,26)(H2,18,19,20,21,22,23).

What are the key properties of N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propylimidazole-4-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-4-carboxamide?

N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propylimidazole-4-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-4-carboxamide has a molecular weight of 2589.84 g/mol, XLogP of 11.73, 43 rotatable bonds, 14 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-(2-chloro-6-methylphenyl)-5-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-ethyl-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propylimidazole-4-carboxamide;2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 161115018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).