4-cyano-3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-4-ethyl-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,4-dimethylbenzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide

C228H237F25N50O14 — CID 164955441

IUPAC4-cyano-3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-4-ethyl-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,4-dimethylbenzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCCN1CCN(Cc2cc(NC(=O)c3cc(-c4ccc5nc(NC(=O)C6CC6)cn5n4)c(C)cc3C)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)c3cc(-c4ccc5nc(NC(=O)C6CC6)cn5n4)c(C)cc3F)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)c3ccc(C#N)c(-c4ccc5nc(NC(=O)C6CC6)cn5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)c3ccc(C(F)(F)F)c(-c4ccc5nc(NC(=O)C6CC6)cn5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)cn5n4)c3)cc2C(F)(F)F)CC1.CCc1ccc(C(=O)Nc2cc(CN3CCN(CC)CC3)cc(C(F)(F)F)c2)cc1-c1ccc2nc(NC(=O)C3CC3)cn2n1.Cc1ccc(C(=O)Nc2cc(CN3CCN(CC4CC4)CC3)cc(C(F)(F)F)c2)cc1-c1ccc2nc(NC(=O)C3CC3)cn2n1
InChIInChI=1S/C34H36F3N7O2.2C33H36F3N7O2.C32H31F6N7O2.C32H33F4N7O2.C32H31F3N8O2.C32H34F3N7O2/c1-21-2-5-25(16-28(21)29-8-9-31-39-30(20-44(31)41-29)40-32(45)24-6-7-24)33(46)38-27-15-23(14-26(17-27)34(35,36)37)19-43-12-10-42(11-13-43)18-22-3-4-22;1-4-41-9-11-42(12-10-41)18-22-14-24(33(34,35)36)16-25(15-22)37-32(45)27-17-26(20(2)13-21(27)3)28-7-8-30-38-29(19-43(30)40-28)39-31(44)23-5-6-23;1-3-22-5-8-24(17-27(22)28-9-10-30-38-29(20-43(30)40-28)39-31(44)23-6-7-23)32(45)37-26-16-21(15-25(18-26)33(34,35)36)19-42-13-11-41(4-2)12-14-42;1-2-43-9-11-44(12-10-43)17-19-13-22(31(33,34)35)16-23(14-19)39-30(47)21-5-6-25(32(36,37)38)24(15-21)26-7-8-28-40-27(18-45(28)42-26)41-29(46)20-3-4-20;1-3-41-8-10-42(11-9-41)17-20-13-22(32(34,35)36)15-23(14-20)37-31(45)25-16-24(19(2)12-26(25)33)27-6-7-29-38-28(18-43(29)40-27)39-30(44)21-4-5-21;1-2-41-9-11-42(12-10-41)18-20-13-24(32(33,34)35)16-25(14-20)37-31(45)22-5-6-23(17-36)26(15-22)27-7-8-29-38-28(19-43(29)40-27)39-30(44)21-3-4-21;1-3-40-12-14-41(15-13-40)18-23-8-9-24(17-26(23)32(33,34)35)36-31(44)22-5-4-20(2)25(16-22)27-10-11-29-37-28(19-42(29)39-27)38-30(43)21-6-7-21/h2,5,8-9,14-17,20,22,24H,3-4,6-7,10-13,18-19H2,1H3,(H,38,46)(H,40,45);7-8,13-17,19,23H,4-6,9-12,18H2,1-3H3,(H,37,45)(H,39,44);5,8-10,15-18,20,23H,3-4,6-7,11-14,19H2,1-2H3,(H,37,45)(H,39,44);5-8,13-16,18,20H,2-4,9-12,17H2,1H3,(H,39,47)(H,41,46);6-7,12-16,18,21H,3-5,8-11,17H2,1-2H3,(H,37,45)(H,39,44);5-8,13-16,19,21H,2-4,9-12,18H2,1H3,(H,37,45)(H,39,44);4-5,8-11,16-17,19,21H,3,6-7,12-15,18H2,1-2H3,(H,36,44)(H,38,43)
InChIKeyBCMHXXZPJBQHJF-UHFFFAOYSA-N
MW4376.69 g/mol
LogP39.60
Rot. Bonds58

About 4-cyano-3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-4-ethyl-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,4-dimethylbenzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide

4-cyano-3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-4-ethyl-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,4-dimethylbenzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 164955441) has the molecular formula C228H237F25N50O14 and a molecular weight of 4376.69 g/mol. Its IUPAC name is 4-cyano-3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-4-ethyl-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,4-dimethylbenzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-cyano-3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-4-ethyl-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,4-dimethylbenzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID164955441
Molecular FormulaC228H237F25N50O14
Molecular Weight4376.69 g/mol
Exact Mass4373.90
IUPAC Name4-cyano-3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-4-ethyl-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,4-dimethylbenzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCCN1CCN(Cc2cc(NC(=O)c3cc(-c4ccc5nc(NC(=O)C6CC6)cn5n4)c(C)cc3C)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)c3cc(-c4ccc5nc(NC(=O)C6CC6)cn5n4)c(C)cc3F)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)c3ccc(C#N)c(-c4ccc5nc(NC(=O)C6CC6)cn5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)c3ccc(C(F)(F)F)c(-c4ccc5nc(NC(=O)C6CC6)cn5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)cn5n4)c3)cc2C(F)(F)F)CC1.CCc1ccc(C(=O)Nc2cc(CN3CCN(CC)CC3)cc(C(F)(F)F)c2)cc1-c1ccc2nc(NC(=O)C3CC3)cn2n1.Cc1ccc(C(=O)Nc2cc(CN3CCN(CC4CC4)CC3)cc(C(F)(F)F)c2)cc1-c1ccc2nc(NC(=O)C3CC3)cn2n1
InChIInChI=1S/C34H36F3N7O2.2C33H36F3N7O2.C32H31F6N7O2.C32H33F4N7O2.C32H31F3N8O2.C32H34F3N7O2/c1-21-2-5-25(16-28(21)29-8-9-31-39-30(20-44(31)41-29)40-32(45)24-6-7-24)33(46)38-27-15-23(14-26(17-27)34(35,36)37)19-43-12-10-42(11-13-43)18-22-3-4-22;1-4-41-9-11-42(12-10-41)18-22-14-24(33(34,35)36)16-25(15-22)37-32(45)27-17-26(20(2)13-21(27)3)28-7-8-30-38-29(19-43(30)40-28)39-31(44)23-5-6-23;1-3-22-5-8-24(17-27(22)28-9-10-30-38-29(20-43(30)40-28)39-31(44)23-6-7-23)32(45)37-26-16-21(15-25(18-26)33(34,35)36)19-42-13-11-41(4-2)12-14-42;1-2-43-9-11-44(12-10-43)17-19-13-22(31(33,34)35)16-23(14-19)39-30(47)21-5-6-25(32(36,37)38)24(15-21)26-7-8-28-40-27(18-45(28)42-26)41-29(46)20-3-4-20;1-3-41-8-10-42(11-9-41)17-20-13-22(32(34,35)36)15-23(14-20)37-31(45)25-16-24(19(2)12-26(25)33)27-6-7-29-38-28(18-43(29)40-27)39-30(44)21-4-5-21;1-2-41-9-11-42(12-10-41)18-20-13-24(32(33,34)35)16-25(14-20)37-31(45)22-5-6-23(17-36)26(15-22)27-7-8-29-38-28(19-43(29)40-27)39-30(44)21-3-4-21;1-3-40-12-14-41(15-13-40)18-23-8-9-24(17-26(23)32(33,34)35)36-31(44)22-5-4-20(2)25(16-22)27-10-11-29-37-28(19-42(29)39-27)38-30(43)21-6-7-21/h2,5,8-9,14-17,20,22,24H,3-4,6-7,10-13,18-19H2,1H3,(H,38,46)(H,40,45);7-8,13-17,19,23H,4-6,9-12,18H2,1-3H3,(H,37,45)(H,39,44);5,8-10,15-18,20,23H,3-4,6-7,11-14,19H2,1-2H3,(H,37,45)(H,39,44);5-8,13-16,18,20H,2-4,9-12,17H2,1H3,(H,39,47)(H,41,46);6-7,12-16,18,21H,3-5,8-11,17H2,1-2H3,(H,37,45)(H,39,44);5-8,13-16,19,21H,2-4,9-12,18H2,1H3,(H,37,45)(H,39,44);4-5,8-11,16-17,19,21H,3,6-7,12-15,18H2,1-2H3,(H,36,44)(H,38,43)
InChIKeyBCMHXXZPJBQHJF-UHFFFAOYSA-N
XLogP39.60
TPSA687.88 Ų
H-Bond Donors14
H-Bond Acceptors50
Rotatable Bonds58
Heavy Atoms317
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004376.69
LogP ≤ 539.60
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1050

Analyze 4-cyano-3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-4-ethyl-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,4-dimethylbenzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-4-ethyl-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,4-dimethylbenzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 4-cyano-3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-4-ethyl-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,4-dimethylbenzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide (CID 164955441) is 4-cyano-3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-4-ethyl-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,4-dimethylbenzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-cyano-3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-4-ethyl-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,4-dimethylbenzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 4-cyano-3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-4-ethyl-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,4-dimethylbenzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide is CCN1CCN(Cc2cc(NC(=O)c3cc(-c4ccc5nc(NC(=O)C6CC6)cn5n4)c(C)cc3C)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)c3cc(-c4ccc5nc(NC(=O)C6CC6)cn5n4)c(C)cc3F)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)c3ccc(C#N)c(-c4ccc5nc(NC(=O)C6CC6)cn5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)c3ccc(C(F)(F)F)c(-c4ccc5nc(NC(=O)C6CC6)cn5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)cn5n4)c3)cc2C(F)(F)F)CC1.CCc1ccc(C(=O)Nc2cc(CN3CCN(CC)CC3)cc(C(F)(F)F)c2)cc1-c1ccc2nc(NC(=O)C3CC3)cn2n1.Cc1ccc(C(=O)Nc2cc(CN3CCN(CC4CC4)CC3)cc(C(F)(F)F)c2)cc1-c1ccc2nc(NC(=O)C3CC3)cn2n1.
What is the InChIKey of 4-cyano-3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-4-ethyl-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,4-dimethylbenzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is BCMHXXZPJBQHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F3N7O2.2C33H36F3N7O2.C32H31F6N7O2.C32H33F4N7O2.C32H31F3N8O2.C32H34F3N7O2/c1-21-2-5-25(16-28(21)29-8-9-31-39-30(20-44(31)41-29)40-32(45)24-6-7-24)33(46)38-27-15-23(14-26(17-27)34(35,36)37)19-43-12-10-42(11-13-43)18-22-3-4-22;1-4-41-9-11-42(12-10-41)18-22-14-24(33(34,35)36)16-25(15-22)37-32(45)27-17-26(20(2)13-21(27)3)28-7-8-30-38-29(19-43(30)40-28)39-31(44)23-5-6-23;1-3-22-5-8-24(17-27(22)28-9-10-30-38-29(20-43(30)40-28)39-31(44)23-6-7-23)32(45)37-26-16-21(15-25(18-26)33(34,35)36)19-42-13-11-41(4-2)12-14-42;1-2-43-9-11-44(12-10-43)17-19-13-22(31(33,34)35)16-23(14-19)39-30(47)21-5-6-25(32(36,37)38)24(15-21)26-7-8-28-40-27(18-45(28)42-26)41-29(46)20-3-4-20;1-3-41-8-10-42(11-9-41)17-20-13-22(32(34,35)36)15-23(14-20)37-31(45)25-16-24(19(2)12-26(25)33)27-6-7-29-38-28(18-43(29)40-27)39-30(44)21-4-5-21;1-2-41-9-11-42(12-10-41)18-20-13-24(32(33,34)35)16-25(14-20)37-31(45)22-5-6-23(17-36)26(15-22)27-7-8-29-38-28(19-43(29)40-27)39-30(44)21-3-4-21;1-3-40-12-14-41(15-13-40)18-23-8-9-24(17-26(23)32(33,34)35)36-31(44)22-5-4-20(2)25(16-22)27-10-11-29-37-28(19-42(29)39-27)38-30(43)21-6-7-21/h2,5,8-9,14-17,20,22,24H,3-4,6-7,10-13,18-19H2,1H3,(H,38,46)(H,40,45);7-8,13-17,19,23H,4-6,9-12,18H2,1-3H3,(H,37,45)(H,39,44);5,8-10,15-18,20,23H,3-4,6-7,11-14,19H2,1-2H3,(H,37,45)(H,39,44);5-8,13-16,18,20H,2-4,9-12,17H2,1H3,(H,39,47)(H,41,46);6-7,12-16,18,21H,3-5,8-11,17H2,1-2H3,(H,37,45)(H,39,44);5-8,13-16,19,21H,2-4,9-12,18H2,1H3,(H,37,45)(H,39,44);4-5,8-11,16-17,19,21H,3,6-7,12-15,18H2,1-2H3,(H,36,44)(H,38,43).
What are the key properties of 4-cyano-3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-4-ethyl-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,4-dimethylbenzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide?
4-cyano-3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-4-ethyl-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,4-dimethylbenzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 4376.69 g/mol, XLogP of 39.60, 58 rotatable bonds, 14 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-4-ethyl-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,4-dimethylbenzamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 164955441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).