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]-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

C194H201F22N43O12 — CID 165054799

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]-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
InChIInChI=1S/2C33H36F3N7O2.C32H31F6N7O2.C32H33F4N7O2.C32H31F3N8O2.C32H34F3N7O2/c1-4-41-9-11-42(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/h7-8,13-17,19,23H,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)
InChIKeyQFTGRQNIXHOSBH-UHFFFAOYSA-N
MW3744.99 g/mol
LogP33.75
Rot. Bonds49

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]-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]-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 165054799) has the molecular formula C194H201F22N43O12 and a molecular weight of 3744.99 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]-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]-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 CID165054799
Molecular FormulaC194H201F22N43O12
Molecular Weight3744.99 g/mol
Exact Mass3742.61
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]-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
InChIInChI=1S/2C33H36F3N7O2.C32H31F6N7O2.C32H33F4N7O2.C32H31F3N8O2.C32H34F3N7O2/c1-4-41-9-11-42(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/h7-8,13-17,19,23H,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)
InChIKeyQFTGRQNIXHOSBH-UHFFFAOYSA-N
XLogP33.75
TPSA593.01 Ų
H-Bond Donors12
H-Bond Acceptors43
Rotatable Bonds49
Heavy Atoms271
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003744.99
LogP ≤ 533.75
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1043

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]-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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Related Compounds

5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-4-methylbenzamide
CID 147081141
3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 148617485
3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 146714763
4-cyano-3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
CID 153583882
3-cyano-N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]benzamide;3,3,3-trifluoro-N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)-(3,3,3-trifluoropropanoyl)amino]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]propanamide
CID 87152389
N-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamide
CID 88996442
3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[4-[[4-[7-[4-[[4-[[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoyl]amino]-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3,5-dioxoheptyl]piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 126550922
3-[7-(difluoromethyl)-6-[1-[2-[[3-[6-[1-methyl-5-[[4-[2-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrazol-1-yl]methyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)indazole-5-carbonyl]amino]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)indazole-5-carboxamide
CID 132181733
3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[4-[[4-[[4-[[4-[[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoyl]amino]-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 134501876
N-[3-[5-[6-[4-[4-amino-3-[2-cyano-5-[6-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-2-cyanophenyl]-1-[4-[(3Z)-4-[5-(4-cyanophenyl)-1-methylimidazol-2-yl]buta-1,3-dien-2-yl]benzoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 134505018
5-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-6-[7-[3-[4-[2-[2-[2-[4-[5-fluoro-4-(2-imidazo[1,2-a]pyridin-7-yl-6-methylpyridin-3-yl)pyrazol-1-yl]-2-methylbutyl]cyclopropyl]-3-oxo-1H-isoindol-5-yl]-6-methylpyridin-3-yl]pyrazol-1-yl]-2-methylpropyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile
CID 137390007
5-(4-cyclopropylimidazol-1-yl)-N-[4-[2-[3-[6-[5-(4-cyclopropylimidazol-1-yl)-3-oxo-6-piperidin-1-yl-1H-isoindol-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
CID 137435765

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]-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]-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 165054799) 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]-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]-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]-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.
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]-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 QFTGRQNIXHOSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H36F3N7O2.C32H31F6N7O2.C32H33F4N7O2.C32H31F3N8O2.C32H34F3N7O2/c1-4-41-9-11-42(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/h7-8,13-17,19,23H,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]-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]-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 3744.99 g/mol, XLogP of 33.75, 49 rotatable bonds, 12 hydrogen bond donors, and 43 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]-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 165054799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).