N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-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]-3-methyl-N-phenylimidazole-4-carboxamide;ethyl 2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxylate

C138H171Cl3N56O8 — CID 162146159

IUPACN-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-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]-3-methyl-N-phenylimidazole-4-carboxamide;ethyl 2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxylate
SMILESCCOC(=O)c1cnc(Nc2nc(CC)nc(N3CCN(c4ccncc4)CC3)n2)n1C.CCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)NC3CC3)n2C)n1.CCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3ccccc3)n2C)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(c3ccncc3)CC2)n1.COc1ccc(CN(C(=O)c2cnc(Nc3nc(C)nc(N4CCN(C)CC4)n3)n2C)c2c(C)cccc2Cl)cc1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3cccnc3)nc(N3CCN(C)CC3)n2)n1C
InChIInChI=1S/C29H34ClN9O2.C26H29ClN10O.C25H27ClN10O.C21H27N9O2.C20H27N9O.C17H27N9O/c1-19-7-6-8-23(30)25(19)39(18-21-9-11-22(41-5)12-10-21)26(40)24-17-31-28(37(24)4)34-27-32-20(2)33-29(35-27)38-15-13-36(3)14-16-38;1-4-21-30-24(34-26(31-21)37-14-12-36(13-15-37)18-8-10-28-11-9-18)33-25-29-16-20(35(25)3)23(38)32-22-17(2)6-5-7-19(22)27;1-16-6-4-8-18(26)20(16)29-22(37)19-15-28-24(35(19)3)32-23-30-21(17-7-5-9-27-14-17)31-25(33-23)36-12-10-34(2)11-13-36;1-4-17-24-19(26-20-23-14-16(28(20)3)18(31)32-5-2)27-21(25-17)30-12-10-29(11-13-30)15-6-8-22-9-7-15;1-5-16-24-18(21-11-12-28(2)3)26-19(25-16)27-20-22-13-15(29(20)4)17(30)23-14-9-7-6-8-10-14;1-5-13-21-15(18-8-9-25(2)3)23-16(22-13)24-17-19-10-12(26(17)4)14(27)20-11-6-7-11/h6-12,17H,13-16,18H2,1-5H3,(H,31,32,33,34,35);5-11,16H,4,12-15H2,1-3H3,(H,32,38)(H,29,30,31,33,34);4-9,14-15H,10-13H2,1-3H3,(H,29,37)(H,28,30,31,32,33);6-9,14H,4-5,10-13H2,1-3H3,(H,23,24,25,26,27);6-10,13H,5,11-12H2,1-4H3,(H,23,30)(H2,21,22,24,25,26,27);10-11H,5-9H2,1-4H3,(H,20,27)(H2,18,19,21,22,23,24)
InChIKeyZKOSJHVFRNZFML-UHFFFAOYSA-N
MW2848.63 g/mol
LogP16.17
Rot. Bonds46

About N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-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]-3-methyl-N-phenylimidazole-4-carboxamide;ethyl 2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxylate

N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-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]-3-methyl-N-phenylimidazole-4-carboxamide;ethyl 2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxylate (PubChem CID 162146159) has the molecular formula C138H171Cl3N56O8 and a molecular weight of 2848.63 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-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]-3-methyl-N-phenylimidazole-4-carboxamide;ethyl 2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxylate.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-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]-3-methyl-N-phenylimidazole-4-carboxamide;ethyl 2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxylate
PubChem CID162146159
Molecular FormulaC138H171Cl3N56O8
Molecular Weight2848.63 g/mol
Exact Mass2845.38
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-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]-3-methyl-N-phenylimidazole-4-carboxamide;ethyl 2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxylate
SMILESCCOC(=O)c1cnc(Nc2nc(CC)nc(N3CCN(c4ccncc4)CC3)n2)n1C.CCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)NC3CC3)n2C)n1.CCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3ccccc3)n2C)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(c3ccncc3)CC2)n1.COc1ccc(CN(C(=O)c2cnc(Nc3nc(C)nc(N4CCN(C)CC4)n3)n2C)c2c(C)cccc2Cl)cc1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3cccnc3)nc(N3CCN(C)CC3)n2)n1C
InChIInChI=1S/C29H34ClN9O2.C26H29ClN10O.C25H27ClN10O.C21H27N9O2.C20H27N9O.C17H27N9O/c1-19-7-6-8-23(30)25(19)39(18-21-9-11-22(41-5)12-10-21)26(40)24-17-31-28(37(24)4)34-27-32-20(2)33-29(35-27)38-15-13-36(3)14-16-38;1-4-21-30-24(34-26(31-21)37-14-12-36(13-15-37)18-8-10-28-11-9-18)33-25-29-16-20(35(25)3)23(38)32-22-17(2)6-5-7-19(22)27;1-16-6-4-8-18(26)20(16)29-22(37)19-15-28-24(35(19)3)32-23-30-21(17-7-5-9-27-14-17)31-25(33-23)36-12-10-34(2)11-13-36;1-4-17-24-19(26-20-23-14-16(28(20)3)18(31)32-5-2)27-21(25-17)30-12-10-29(11-13-30)15-6-8-22-9-7-15;1-5-16-24-18(21-11-12-28(2)3)26-19(25-16)27-20-22-13-15(29(20)4)17(30)23-14-9-7-6-8-10-14;1-5-13-21-15(18-8-9-25(2)3)23-16(22-13)24-17-19-10-12(26(17)4)14(27)20-11-6-7-11/h6-12,17H,13-16,18H2,1-5H3,(H,31,32,33,34,35);5-11,16H,4,12-15H2,1-3H3,(H,32,38)(H,29,30,31,33,34);4-9,14-15H,10-13H2,1-3H3,(H,29,37)(H,28,30,31,32,33);6-9,14H,4-5,10-13H2,1-3H3,(H,23,24,25,26,27);6-10,13H,5,11-12H2,1-4H3,(H,23,30)(H2,21,22,24,25,26,27);10-11H,5-9H2,1-4H3,(H,20,27)(H2,18,19,21,22,23,24)
InChIKeyZKOSJHVFRNZFML-UHFFFAOYSA-N
XLogP16.17
TPSA678.49 Ų
H-Bond Donors12
H-Bond Acceptors59
Rotatable Bonds46
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002848.63
LogP ≤ 516.17
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1059

Analyze N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-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]-3-methyl-N-phenylimidazole-4-carboxamide;ethyl 2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxylate with MolForge

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Related Compounds

6-chloro-N-(2,2-difluoro-3-hydroxypropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3S)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3R)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 158240427
2-amino-2-(3-chlorophenyl)ethanol;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-1-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-4-pyridinyl]imidazole-4-carboxamide;methyl 1-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-4-pyridinyl]imidazole-4-carboxylate
CID 157169781
N-(2-chloro-6-methylphenyl)-2-[[4-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]-1,3-oxazole-5-carboxamide
CID 157337027
6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;(2S)-1-[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydroindole-2-carboxylic acid;N-cyclopropyl-6-[(2S)-2-(hydroxymethyl)-2,3-dihydroindol-1-yl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;bis(N-cyclopropyl-6-indol-1-yl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide);N-cyclopropyl-6-indol-1-yl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;[(2S)-2,3-dihydro-1H-indol-2-yl]methanol;methane;4-methyl-4-oxidomorpholin-4-ium
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CID 158000712
[4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;[4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-(1,3-dihydroisoindol-2-yl)methanone;[4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
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carbon dioxide;6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;3-[[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]pyridine-2-carboxylic acid;N-cyclopropyl-6-[[2-(ethylcarbamoyl)-3-pyridinyl]amino]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;N-cyclopropyl-6-[[2-(ethylcarbamoyl)-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;ethanamine;ethyl 3-[[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]pyridine-2-carboxylate;2-ethylpyridin-3-amine
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CID 161469266

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-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]-3-methyl-N-phenylimidazole-4-carboxamide;ethyl 2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxylate?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-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]-3-methyl-N-phenylimidazole-4-carboxamide;ethyl 2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxylate (CID 162146159) is N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-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]-3-methyl-N-phenylimidazole-4-carboxamide;ethyl 2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxylate.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-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]-3-methyl-N-phenylimidazole-4-carboxamide;ethyl 2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxylate?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-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]-3-methyl-N-phenylimidazole-4-carboxamide;ethyl 2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxylate is CCOC(=O)c1cnc(Nc2nc(CC)nc(N3CCN(c4ccncc4)CC3)n2)n1C.CCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)NC3CC3)n2C)n1.CCc1nc(NCCN(C)C)nc(Nc2ncc(C(=O)Nc3ccccc3)n2C)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(c3ccncc3)CC2)n1.COc1ccc(CN(C(=O)c2cnc(Nc3nc(C)nc(N4CCN(C)CC4)n3)n2C)c2c(C)cccc2Cl)cc1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3cccnc3)nc(N3CCN(C)CC3)n2)n1C.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-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]-3-methyl-N-phenylimidazole-4-carboxamide;ethyl 2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxylate?
The InChIKey is ZKOSJHVFRNZFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34ClN9O2.C26H29ClN10O.C25H27ClN10O.C21H27N9O2.C20H27N9O.C17H27N9O/c1-19-7-6-8-23(30)25(19)39(18-21-9-11-22(41-5)12-10-21)26(40)24-17-31-28(37(24)4)34-27-32-20(2)33-29(35-27)38-15-13-36(3)14-16-38;1-4-21-30-24(34-26(31-21)37-14-12-36(13-15-37)18-8-10-28-11-9-18)33-25-29-16-20(35(25)3)23(38)32-22-17(2)6-5-7-19(22)27;1-16-6-4-8-18(26)20(16)29-22(37)19-15-28-24(35(19)3)32-23-30-21(17-7-5-9-27-14-17)31-25(33-23)36-12-10-34(2)11-13-36;1-4-17-24-19(26-20-23-14-16(28(20)3)18(31)32-5-2)27-21(25-17)30-12-10-29(11-13-30)15-6-8-22-9-7-15;1-5-16-24-18(21-11-12-28(2)3)26-19(25-16)27-20-22-13-15(29(20)4)17(30)23-14-9-7-6-8-10-14;1-5-13-21-15(18-8-9-25(2)3)23-16(22-13)24-17-19-10-12(26(17)4)14(27)20-11-6-7-11/h6-12,17H,13-16,18H2,1-5H3,(H,31,32,33,34,35);5-11,16H,4,12-15H2,1-3H3,(H,32,38)(H,29,30,31,33,34);4-9,14-15H,10-13H2,1-3H3,(H,29,37)(H,28,30,31,32,33);6-9,14H,4-5,10-13H2,1-3H3,(H,23,24,25,26,27);6-10,13H,5,11-12H2,1-4H3,(H,23,30)(H2,21,22,24,25,26,27);10-11H,5-9H2,1-4H3,(H,20,27)(H2,18,19,21,22,23,24).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-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]-3-methyl-N-phenylimidazole-4-carboxamide;ethyl 2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxylate?
N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-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]-3-methyl-N-phenylimidazole-4-carboxamide;ethyl 2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxylate has a molecular weight of 2848.63 g/mol, XLogP of 16.17, 46 rotatable bonds, 12 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-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]-3-methyl-N-phenylimidazole-4-carboxamide;ethyl 2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxylate is sourced from PubChem (CID 162146159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).