N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-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-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide

C138H168Cl6FN51O8 — CID 158898956

IUPACN-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-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-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide
SMILESCCCN1CCN(c2nc(CC)nc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)n3C)n2)CC1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCC(CO)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCCC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(c3ccc(F)cc3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCOCC2)n1
InChIInChI=1S/C27H29ClFN9O.C24H32ClN9O.C23H29ClN8O2.C22H28ClN9O.C21H25ClN8O2.C21H25ClN8O/c1-4-22-31-25(35-27(32-22)38-14-12-37(13-15-38)19-10-8-18(29)9-11-19)34-26-30-16-21(36(26)3)24(39)33-23-17(2)6-5-7-20(23)28;1-5-10-33-11-13-34(14-12-33)24-28-19(6-2)27-22(31-24)30-23-26-15-18(32(23)4)21(35)29-20-16(3)8-7-9-17(20)25;1-4-18-26-21(30-23(27-18)32-10-8-15(13-33)9-11-32)29-22-25-12-17(31(22)3)20(34)28-19-14(2)6-5-7-16(19)24;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;1-4-16-24-19(28-21(25-16)30-8-10-32-11-9-30)27-20-23-12-15(29(20)3)18(31)26-17-13(2)6-5-7-14(17)22;1-4-16-24-19(28-21(25-16)30-10-5-6-11-30)27-20-23-12-15(29(20)3)18(31)26-17-13(2)8-7-9-14(17)22/h5-11,16H,4,12-15H2,1-3H3,(H,33,39)(H,30,31,32,34,35);7-9,15H,5-6,10-14H2,1-4H3,(H,29,35)(H,26,27,28,30,31);5-7,12,15,33H,4,8-11,13H2,1-3H3,(H,28,34)(H,25,26,27,29,30);6-8,13H,5,9-12H2,1-4H3,(H,27,33)(H,24,25,26,28,29);5-7,12H,4,8-11H2,1-3H3,(H,26,31)(H,23,24,25,27,28);7-9,12H,4-6,10-11H2,1-3H3,(H,26,31)(H,23,24,25,27,28)
InChIKeyJFEMKGPBZMSPNE-UHFFFAOYSA-N
MW2900.93 g/mol
LogP21.15
Rot. Bonds40

About N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-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-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-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-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide (PubChem CID 158898956) has the molecular formula C138H168Cl6FN51O8 and a molecular weight of 2900.93 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-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-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-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-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide
PubChem CID158898956
Molecular FormulaC138H168Cl6FN51O8
Molecular Weight2900.93 g/mol
Exact Mass2896.24
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-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-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide
SMILESCCCN1CCN(c2nc(CC)nc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)n3C)n2)CC1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCC(CO)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCCC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(c3ccc(F)cc3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCOCC2)n1
InChIInChI=1S/C27H29ClFN9O.C24H32ClN9O.C23H29ClN8O2.C22H28ClN9O.C21H25ClN8O2.C21H25ClN8O/c1-4-22-31-25(35-27(32-22)38-14-12-37(13-15-38)19-10-8-18(29)9-11-19)34-26-30-16-21(36(26)3)24(39)33-23-17(2)6-5-7-20(23)28;1-5-10-33-11-13-34(14-12-33)24-28-19(6-2)27-22(31-24)30-23-26-15-18(32(23)4)21(35)29-20-16(3)8-7-9-17(20)25;1-4-18-26-21(30-23(27-18)32-10-8-15(13-33)9-11-32)29-22-25-12-17(31(22)3)20(34)28-19-14(2)6-5-7-16(19)24;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;1-4-16-24-19(28-21(25-16)30-8-10-32-11-9-30)27-20-23-12-15(29(20)3)18(31)26-17-13(2)6-5-7-14(17)22;1-4-16-24-19(28-21(25-16)30-10-5-6-11-30)27-20-23-12-15(29(20)3)18(31)26-17-13(2)8-7-9-14(17)22/h5-11,16H,4,12-15H2,1-3H3,(H,33,39)(H,30,31,32,34,35);7-9,15H,5-6,10-14H2,1-4H3,(H,29,35)(H,26,27,28,30,31);5-7,12,15,33H,4,8-11,13H2,1-3H3,(H,28,34)(H,25,26,27,29,30);6-8,13H,5,9-12H2,1-4H3,(H,27,33)(H,24,25,26,28,29);5-7,12H,4,8-11H2,1-3H3,(H,26,31)(H,23,24,25,27,28);7-9,12H,4-6,10-11H2,1-3H3,(H,26,31)(H,23,24,25,27,28)
InChIKeyJFEMKGPBZMSPNE-UHFFFAOYSA-N
XLogP21.15
TPSA644.34 Ų
H-Bond Donors13
H-Bond Acceptors53
Rotatable Bonds40
Heavy Atoms204
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002900.93
LogP ≤ 521.15
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1053

Analyze N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-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-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-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-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-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-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide (CID 158898956) is N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-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-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-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-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-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-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide is CCCN1CCN(c2nc(CC)nc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)n3C)n2)CC1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCC(CO)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCCC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCN(c3ccc(F)cc3)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)n2C)nc(N2CCOCC2)n1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-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-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide?
The InChIKey is JFEMKGPBZMSPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClFN9O.C24H32ClN9O.C23H29ClN8O2.C22H28ClN9O.C21H25ClN8O2.C21H25ClN8O/c1-4-22-31-25(35-27(32-22)38-14-12-37(13-15-38)19-10-8-18(29)9-11-19)34-26-30-16-21(36(26)3)24(39)33-23-17(2)6-5-7-20(23)28;1-5-10-33-11-13-34(14-12-33)24-28-19(6-2)27-22(31-24)30-23-26-15-18(32(23)4)21(35)29-20-16(3)8-7-9-17(20)25;1-4-18-26-21(30-23(27-18)32-10-8-15(13-33)9-11-32)29-22-25-12-17(31(22)3)20(34)28-19-14(2)6-5-7-16(19)24;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;1-4-16-24-19(28-21(25-16)30-8-10-32-11-9-30)27-20-23-12-15(29(20)3)18(31)26-17-13(2)6-5-7-14(17)22;1-4-16-24-19(28-21(25-16)30-10-5-6-11-30)27-20-23-12-15(29(20)3)18(31)26-17-13(2)8-7-9-14(17)22/h5-11,16H,4,12-15H2,1-3H3,(H,33,39)(H,30,31,32,34,35);7-9,15H,5-6,10-14H2,1-4H3,(H,29,35)(H,26,27,28,30,31);5-7,12,15,33H,4,8-11,13H2,1-3H3,(H,28,34)(H,25,26,27,29,30);6-8,13H,5,9-12H2,1-4H3,(H,27,33)(H,24,25,26,28,29);5-7,12H,4,8-11H2,1-3H3,(H,26,31)(H,23,24,25,27,28);7-9,12H,4-6,10-11H2,1-3H3,(H,26,31)(H,23,24,25,27,28).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-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-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-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-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide has a molecular weight of 2900.93 g/mol, XLogP of 21.15, 40 rotatable bonds, 13 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-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-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 158898956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).