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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-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

C136H191ClF3N63O8 — CID 162153398

IUPACN-(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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-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
SMILESCC(C)NC(=O)c1cnc(Nc2nc(NCCN(C)C)nc(-c3ccccc3)n2)n1C.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.CN(C)CCNc1nc(Nc2ncc(C(=O)NC3CC3)n2C)nc(-c2ccccc2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C25H23ClF3N9O2.C21H27N9O.C21H29N9O.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;1-29(2)12-11-22-19-25-17(14-7-5-4-6-8-14)26-20(27-19)28-21-23-13-16(30(21)3)18(31)24-15-9-10-15;1-14(2)24-18(31)16-13-23-21(30(16)5)28-20-26-17(15-9-7-6-8-10-15)25-19(27-20)22-11-12-29(3)4;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);4-8,13,15H,9-12H2,1-3H3,(H,24,31)(H2,22,23,25,26,27,28);6-10,13-14H,11-12H2,1-5H3,(H,24,31)(H2,22,23,25,26,27,28);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)
InChIKeyZLMXCYJOXBLIAQ-UHFFFAOYSA-N
MW2928.90 g/mol
LogP11.89
Rot. Bonds55

About 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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-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 162153398) has the molecular formula C136H191ClF3N63O8 and a molecular weight of 2928.90 g/mol. Its IUPAC name is 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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-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 NameN-(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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-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 CID162153398
Molecular FormulaC136H191ClF3N63O8
Molecular Weight2928.90 g/mol
Exact Mass2926.61
IUPAC NameN-(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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-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
SMILESCC(C)NC(=O)c1cnc(Nc2nc(NCCN(C)C)nc(-c3ccccc3)n2)n1C.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.CN(C)CCNc1nc(Nc2ncc(C(=O)NC3CC3)n2C)nc(-c2ccccc2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C25H23ClF3N9O2.C21H27N9O.C21H29N9O.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;1-29(2)12-11-22-19-25-17(14-7-5-4-6-8-14)26-20(27-19)28-21-23-13-16(30(21)3)18(31)24-15-9-10-15;1-14(2)24-18(31)16-13-23-21(30(16)5)28-20-26-17(15-9-7-6-8-10-15)25-19(27-20)22-11-12-29(3)4;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);4-8,13,15H,9-12H2,1-3H3,(H,24,31)(H2,22,23,25,26,27,28);6-10,13-14H,11-12H2,1-5H3,(H,24,31)(H2,22,23,25,26,27,28);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)
InChIKeyZLMXCYJOXBLIAQ-UHFFFAOYSA-N
XLogP11.89
TPSA784.96 Ų
H-Bond Donors18
H-Bond Acceptors64
Rotatable Bonds55
Heavy Atoms211
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002928.90
LogP ≤ 511.89
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1064

Analyze 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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-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 162153398) is 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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-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 CC(C)NC(=O)c1cnc(Nc2nc(NCCN(C)C)nc(-c3ccccc3)n2)n1C.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.CN(C)CCNc1nc(Nc2ncc(C(=O)NC3CC3)n2C)nc(-c2ccccc2)n1.Cc1nc(Nc2nnc(C(=O)Nc3c(C)cccc3Cl)o2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.
What is the InChIKey of 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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-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 ZLMXCYJOXBLIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF3N9O2.C21H27N9O.C21H29N9O.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;1-29(2)12-11-22-19-25-17(14-7-5-4-6-8-14)26-20(27-19)28-21-23-13-16(30(21)3)18(31)24-15-9-10-15;1-14(2)24-18(31)16-13-23-21(30(16)5)28-20-26-17(15-9-7-6-8-10-15)25-19(27-20)22-11-12-29(3)4;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);4-8,13,15H,9-12H2,1-3H3,(H,24,31)(H2,22,23,25,26,27,28);6-10,13-14H,11-12H2,1-5H3,(H,24,31)(H2,22,23,25,26,27,28);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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3,4-oxadiazole-2-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-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 2928.90 g/mol, XLogP of 11.89, 55 rotatable bonds, 18 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-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-[2-(dimethylamino)ethylamino]-6-phenyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-propan-2-ylimidazole-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 162153398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).