2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide

C155H183Cl7N60O7 — CID 159356570

IUPAC2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide
SMILESC#Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(C)CC2)n1.C=Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ccccc2)nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N(C)C)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCCCC2)n1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCN(C)CC3)n2)n1C.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCN(C)CC3)n2)n1C
InChIInChI=1S/C24H32ClN9O.C23H28ClN9O.C23H23ClN8O.C22H26ClN9O.C22H24ClN9O.C22H27ClN8O.C19H23ClN8O/c1-15(2)13-19-27-22(31-24(28-19)34-11-9-32(4)10-12-34)30-23-26-14-18(33(23)5)21(35)29-20-16(3)7-6-8-17(20)25;1-14-5-4-6-16(24)18(14)26-20(34)17-13-25-22(32(17)3)29-21-27-19(15-7-8-15)28-23(30-21)33-11-9-31(2)10-12-33;1-4-18-27-21(26-15-10-6-5-7-11-15)30-22(28-18)31-23-25-13-17(32(23)3)20(33)29-19-14(2)9-8-12-16(19)24;2*1-5-17-25-20(29-22(26-17)32-11-9-30(3)10-12-32)28-21-24-13-16(31(21)4)19(33)27-18-14(2)7-6-8-15(18)23;1-4-17-25-20(29-22(26-17)31-11-6-5-7-12-31)28-21-24-13-16(30(21)3)19(32)27-18-14(2)9-8-10-15(18)23;1-6-14-22-17(26-19(23-14)27(3)4)25-18-21-10-13(28(18)5)16(29)24-15-11(2)8-7-9-12(15)20/h6-8,14-15H,9-13H2,1-5H3,(H,29,35)(H,26,27,28,30,31);4-6,13,15H,7-12H2,1-3H3,(H,26,34)(H,25,27,28,29,30);5-13H,4H2,1-3H3,(H,29,33)(H2,25,26,27,28,30,31);5-8,13H,1,9-12H2,2-4H3,(H,27,33)(H,24,25,26,28,29);1,6-8,13H,9-12H2,2-4H3,(H,27,33)(H,24,25,26,28,29);8-10,13H,4-7,11-12H2,1-3H3,(H,27,32)(H,24,25,26,28,29);7-10H,6H2,1-5H3,(H,24,29)(H,21,22,23,25,26)
InChIKeyLHZNEAZAHSPQPR-UHFFFAOYSA-N
MW3246.75 g/mol
LogP24.13
Rot. Bonds43

About 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide

2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide (PubChem CID 159356570) has the molecular formula C155H183Cl7N60O7 and a molecular weight of 3246.75 g/mol. Its IUPAC name is 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide
PubChem CID159356570
Molecular FormulaC155H183Cl7N60O7
Molecular Weight3246.75 g/mol
Exact Mass3241.36
IUPAC Name2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide
SMILESC#Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(C)CC2)n1.C=Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ccccc2)nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N(C)C)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCCCC2)n1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCN(C)CC3)n2)n1C.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCN(C)CC3)n2)n1C
InChIInChI=1S/C24H32ClN9O.C23H28ClN9O.C23H23ClN8O.C22H26ClN9O.C22H24ClN9O.C22H27ClN8O.C19H23ClN8O/c1-15(2)13-19-27-22(31-24(28-19)34-11-9-32(4)10-12-34)30-23-26-14-18(33(23)5)21(35)29-20-16(3)7-6-8-17(20)25;1-14-5-4-6-16(24)18(14)26-20(34)17-13-25-22(32(17)3)29-21-27-19(15-7-8-15)28-23(30-21)33-11-9-31(2)10-12-33;1-4-18-27-21(26-15-10-6-5-7-11-15)30-22(28-18)31-23-25-13-17(32(23)3)20(33)29-19-14(2)9-8-12-16(19)24;2*1-5-17-25-20(29-22(26-17)32-11-9-30(3)10-12-32)28-21-24-13-16(31(21)4)19(33)27-18-14(2)7-6-8-15(18)23;1-4-17-25-20(29-22(26-17)31-11-6-5-7-12-31)28-21-24-13-16(30(21)3)19(32)27-18-14(2)9-8-10-15(18)23;1-6-14-22-17(26-19(23-14)27(3)4)25-18-21-10-13(28(18)5)16(29)24-15-11(2)8-7-9-12(15)20/h6-8,14-15H,9-13H2,1-5H3,(H,29,35)(H,26,27,28,30,31);4-6,13,15H,7-12H2,1-3H3,(H,26,34)(H,25,27,28,29,30);5-13H,4H2,1-3H3,(H,29,33)(H2,25,26,27,28,30,31);5-8,13H,1,9-12H2,2-4H3,(H,27,33)(H,24,25,26,28,29);1,6-8,13H,9-12H2,2-4H3,(H,27,33)(H,24,25,26,28,29);8-10,13H,4-7,11-12H2,1-3H3,(H,27,32)(H,24,25,26,28,29);7-10H,6H2,1-5H3,(H,24,29)(H,21,22,23,25,26)
InChIKeyLHZNEAZAHSPQPR-UHFFFAOYSA-N
XLogP24.13
TPSA727.77 Ų
H-Bond Donors15
H-Bond Acceptors60
Rotatable Bonds43
Heavy Atoms229
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003246.75
LogP ≤ 524.13
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide?
The IUPAC name of 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide (CID 159356570) is 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide.
What is the SMILES notation for 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide?
The canonical SMILES for 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide is C#Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(C)CC2)n1.C=Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ccccc2)nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N(C)C)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCCCC2)n1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCN(C)CC3)n2)n1C.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCN(C)CC3)n2)n1C.
What is the InChIKey of 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide?
The InChIKey is LHZNEAZAHSPQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN9O.C23H28ClN9O.C23H23ClN8O.C22H26ClN9O.C22H24ClN9O.C22H27ClN8O.C19H23ClN8O/c1-15(2)13-19-27-22(31-24(28-19)34-11-9-32(4)10-12-34)30-23-26-14-18(33(23)5)21(35)29-20-16(3)7-6-8-17(20)25;1-14-5-4-6-16(24)18(14)26-20(34)17-13-25-22(32(17)3)29-21-27-19(15-7-8-15)28-23(30-21)33-11-9-31(2)10-12-33;1-4-18-27-21(26-15-10-6-5-7-11-15)30-22(28-18)31-23-25-13-17(32(23)3)20(33)29-19-14(2)9-8-12-16(19)24;2*1-5-17-25-20(29-22(26-17)32-11-9-30(3)10-12-32)28-21-24-13-16(31(21)4)19(33)27-18-14(2)7-6-8-15(18)23;1-4-17-25-20(29-22(26-17)31-11-6-5-7-12-31)28-21-24-13-16(30(21)3)19(32)27-18-14(2)9-8-10-15(18)23;1-6-14-22-17(26-19(23-14)27(3)4)25-18-21-10-13(28(18)5)16(29)24-15-11(2)8-7-9-12(15)20/h6-8,14-15H,9-13H2,1-5H3,(H,29,35)(H,26,27,28,30,31);4-6,13,15H,7-12H2,1-3H3,(H,26,34)(H,25,27,28,29,30);5-13H,4H2,1-3H3,(H,29,33)(H2,25,26,27,28,30,31);5-8,13H,1,9-12H2,2-4H3,(H,27,33)(H,24,25,26,28,29);1,6-8,13H,9-12H2,2-4H3,(H,27,33)(H,24,25,26,28,29);8-10,13H,4-7,11-12H2,1-3H3,(H,27,32)(H,24,25,26,28,29);7-10H,6H2,1-5H3,(H,24,29)(H,21,22,23,25,26).
What are the key properties of 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide?
2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide has a molecular weight of 3246.75 g/mol, XLogP of 24.13, 43 rotatable bonds, 15 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-anilino-6-ethyl-1,3,5-triazin-2-yl)amino]-N-(2-chloro-6-methylphenyl)-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide is sourced from PubChem (CID 159356570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).