N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-fluorophenyl)-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;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide

C125H145Cl5FN45O5S — CID 159267201

About N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-fluorophenyl)-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;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-fluorophenyl)-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;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide (PubChem CID 159267201) has the molecular formula C125H145Cl5FN45O5S and a molecular weight of 2586.17 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-fluorophenyl)-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;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-fluorophenyl)-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;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide
• PubChem CID: 159267201
• Molecular Formula: C125H145Cl5FN45O5S
• Molecular Weight: 2586.17 g/mol
• Exact Mass: 2582.06
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-fluorophenyl)-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;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide
• SMILES: Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3ccc(F)cc3)nc(N3CCN(C)CC3)n2)n1C.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3ccccc3)nc(N3CCN(C)CC3)n2)n1C.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3cccs3)nc(N3CCN(C)CC3)n2)n1C.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CCCC3)nc(N3CCN(C)CC3)n2)n1C.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCN(C)CC3)n2)n1C
• InChI: InChI=1S/C26H27ClFN9O.C26H28ClN9O.C25H32ClN9O.C24H26ClN9OS.C24H32ClN9O/c1-16-5-4-6-19(27)21(16)30-23(38)20-15-29-25(36(20)3)33-24-31-22(17-7-9-18(28)10-8-17)32-26(34-24)37-13-11-35(2)12-14-37;1-17-8-7-11-19(27)21(17)29-23(37)20-16-28-25(35(20)3)32-24-30-22(18-9-5-4-6-10-18)31-26(33-24)36-14-12-34(2)13-15-36;1-16-7-6-10-18(26)20(16)28-22(36)19-15-27-24(34(19)3)31-23-29-21(17-8-4-5-9-17)30-25(32-23)35-13-11-33(2)12-14-35;1-15-6-4-7-16(25)19(15)27-21(35)17-14-26-23(33(17)3)30-22-28-20(18-8-5-13-36-18)29-24(31-22)34-11-9-32(2)10-12-34;1-15(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/h4-10,15H,11-14H2,1-3H3,(H,30,38)(H,29,31,32,33,34);4-11,16H,12-15H2,1-3H3,(H,29,37)(H,28,30,31,32,33);6-7,10,15,17H,4-5,8-9,11-14H2,1-3H3,(H,28,36)(H,27,29,30,31,32);4-8,13-14H,9-12H2,1-3H3,(H,27,35)(H,26,28,29,30,31);6-8,14-15H,9-13H2,1-5H3,(H,29,35)(H,26,27,28,30,31)
• InChIKey: KXGIPNUGGOTKCG-UHFFFAOYSA-N
• XLogP: 19.63
• TPSA: 520.50 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 46
• Rotatable Bonds: 31
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2586.17
LogP ≤ 5	19.63
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-fluorophenyl)-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;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide?

The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-fluorophenyl)-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;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide (CID 159267201) is N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-fluorophenyl)-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;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide.

What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-fluorophenyl)-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;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide?

The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-fluorophenyl)-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;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide is Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3ccc(F)cc3)nc(N3CCN(C)CC3)n2)n1C.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3ccccc3)nc(N3CCN(C)CC3)n2)n1C.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3cccs3)nc(N3CCN(C)CC3)n2)n1C.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CCCC3)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 N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-fluorophenyl)-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;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide?

The InChIKey is KXGIPNUGGOTKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN9O.C26H28ClN9O.C25H32ClN9O.C24H26ClN9OS.C24H32ClN9O/c1-16-5-4-6-19(27)21(16)30-23(38)20-15-29-25(36(20)3)33-24-31-22(17-7-9-18(28)10-8-17)32-26(34-24)37-13-11-35(2)12-14-37;1-17-8-7-11-19(27)21(17)29-23(37)20-16-28-25(35(20)3)32-24-30-22(18-9-5-4-6-10-18)31-26(33-24)36-14-12-34(2)13-15-36;1-16-7-6-10-18(26)20(16)28-22(36)19-15-27-24(34(19)3)31-23-29-21(17-8-4-5-9-17)30-25(32-23)35-13-11-33(2)12-14-35;1-15-6-4-7-16(25)19(15)27-21(35)17-14-26-23(33(17)3)30-22-28-20(18-8-5-13-36-18)29-24(31-22)34-11-9-32(2)10-12-34;1-15(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/h4-10,15H,11-14H2,1-3H3,(H,30,38)(H,29,31,32,33,34);4-11,16H,12-15H2,1-3H3,(H,29,37)(H,28,30,31,32,33);6-7,10,15,17H,4-5,8-9,11-14H2,1-3H3,(H,28,36)(H,27,29,30,31,32);4-8,13-14H,9-12H2,1-3H3,(H,27,35)(H,26,28,29,30,31);6-8,14-15H,9-13H2,1-5H3,(H,29,35)(H,26,27,28,30,31).

What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-fluorophenyl)-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;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide?

N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-fluorophenyl)-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;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide has a molecular weight of 2586.17 g/mol, XLogP of 19.63, 31 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-fluorophenyl)-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;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide is sourced from PubChem (CID 159267201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).