1-[1,4-dimethyl-5-(3-methylisoquinolin-7-yl)imidazol-2-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-(3-isoquinolin-7-yl-2-methyl-1H-1,2,4-triazol-2-ium-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[3-(3-methylisoquinolin-7-yl)-2H-pyrrol-5-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide

C196H211F18N46O7+ — CID 159905287

IUPAC1-[1,4-dimethyl-5-(3-methylisoquinolin-7-yl)imidazol-2-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-(3-isoquinolin-7-yl-2-methyl-1H-1,2,4-triazol-2-ium-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[3-(3-methylisoquinolin-7-yl)-2H-pyrrol-5-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
SMILESCN1CCN(Cc2ccc(NC(=O)Nc3cc(-c4ccc5ccncc5c4)n(C)n3)cc2)CC1.CN1CCN(Cc2ccc(NC(=O)Nc3nc(-c4ccc5ccncc5c4)[n+](C)[nH]3)cc2C(F)(F)F)CC1.Cc1cc2ccc(-c3c(C)nc(NC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)n3C)cc2cn1.Cc1cc2ccc(-c3cc(NC(=O)Cc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)cc2cn1.Cc1cc2ccc(-c3cc(NC(=O)Nc4ccc(CC5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)cc2cn1.Cc1cc2ccc(C3=CC(NC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)=NC3)cc2cn1.Cc1ncc2cc(-c3cc(CC(=O)Nc4ccc(CC5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)ccc2n1
InChIInChI=1S/C29H32F3N7O.3C29H31F3N6O.C28H29F3N6O.C26H27F3N8O.C26H29N7O/c1-18-13-20-5-6-21(14-23(20)16-33-18)26-19(2)34-27(38(26)4)36-28(40)35-24-8-7-22(25(15-24)29(30,31)32)17-39-11-9-37(3)10-12-39;1-18-33-17-22-13-21(5-7-26(22)34-18)27-15-24(36-38(27)3)16-28(39)35-23-6-4-20(25(14-23)29(30,31)32)12-19-8-10-37(2)11-9-19;1-19-12-21-6-7-22(15-24(21)17-33-19)26-16-27(35-37(26)3)34-28(39)14-20-4-5-23(25(13-20)29(30,31)32)18-38-10-8-36(2)9-11-38;1-18-12-20-4-5-22(14-23(20)17-33-18)26-16-27(36-38(26)3)35-28(39)34-24-7-6-21(25(15-24)29(30,31)32)13-19-8-10-37(2)11-9-19;1-18-11-19-3-4-20(12-22(19)15-32-18)23-13-26(33-16-23)35-27(38)34-24-6-5-21(25(14-24)28(29,30)31)17-37-9-7-36(2)8-10-37;1-35-9-11-37(12-10-35)16-19-5-6-21(14-22(19)26(27,28)29)31-25(38)33-24-32-23(36(2)34-24)18-4-3-17-7-8-30-15-20(17)13-18;1-31-11-13-33(14-12-31)18-19-3-7-23(8-4-19)28-26(34)29-25-16-24(32(2)30-25)21-6-5-20-9-10-27-17-22(20)15-21/h5-8,13-16H,9-12,17H2,1-4H3,(H2,34,35,36,40);4-7,13-15,17,19H,8-12,16H2,1-3H3,(H,35,39);4-7,12-13,15-17H,8-11,14,18H2,1-3H3,(H,34,35,39);4-7,12,14-17,19H,8-11,13H2,1-3H3,(H2,34,35,36,39);3-6,11-15H,7-10,16-17H2,1-2H3,(H2,33,34,35,38);3-8,13-15H,9-12,16H2,1-2H3,(H2,31,33,34,38);3-10,15-17H,11-14,18H2,1-2H3,(H2,28,29,30,34)/p+1
InChIKeyDIAAQGPOQIOMDM-UHFFFAOYSA-O
MW3665.12 g/mol
LogP35.28
Rot. Bonds36

About 1-[1,4-dimethyl-5-(3-methylisoquinolin-7-yl)imidazol-2-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-(3-isoquinolin-7-yl-2-methyl-1H-1,2,4-triazol-2-ium-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[3-(3-methylisoquinolin-7-yl)-2H-pyrrol-5-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide

1-[1,4-dimethyl-5-(3-methylisoquinolin-7-yl)imidazol-2-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-(3-isoquinolin-7-yl-2-methyl-1H-1,2,4-triazol-2-ium-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[3-(3-methylisoquinolin-7-yl)-2H-pyrrol-5-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 159905287) has the molecular formula C196H211F18N46O7+ and a molecular weight of 3665.12 g/mol. Its IUPAC name is 1-[1,4-dimethyl-5-(3-methylisoquinolin-7-yl)imidazol-2-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-(3-isoquinolin-7-yl-2-methyl-1H-1,2,4-triazol-2-ium-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[3-(3-methylisoquinolin-7-yl)-2H-pyrrol-5-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name1-[1,4-dimethyl-5-(3-methylisoquinolin-7-yl)imidazol-2-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-(3-isoquinolin-7-yl-2-methyl-1H-1,2,4-triazol-2-ium-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[3-(3-methylisoquinolin-7-yl)-2H-pyrrol-5-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
PubChem CID159905287
Molecular FormulaC196H211F18N46O7+
Molecular Weight3665.12 g/mol
Exact Mass3662.73
IUPAC Name1-[1,4-dimethyl-5-(3-methylisoquinolin-7-yl)imidazol-2-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-(3-isoquinolin-7-yl-2-methyl-1H-1,2,4-triazol-2-ium-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[3-(3-methylisoquinolin-7-yl)-2H-pyrrol-5-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
SMILESCN1CCN(Cc2ccc(NC(=O)Nc3cc(-c4ccc5ccncc5c4)n(C)n3)cc2)CC1.CN1CCN(Cc2ccc(NC(=O)Nc3nc(-c4ccc5ccncc5c4)[n+](C)[nH]3)cc2C(F)(F)F)CC1.Cc1cc2ccc(-c3c(C)nc(NC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)n3C)cc2cn1.Cc1cc2ccc(-c3cc(NC(=O)Cc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)cc2cn1.Cc1cc2ccc(-c3cc(NC(=O)Nc4ccc(CC5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)cc2cn1.Cc1cc2ccc(C3=CC(NC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)=NC3)cc2cn1.Cc1ncc2cc(-c3cc(CC(=O)Nc4ccc(CC5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)ccc2n1
InChIInChI=1S/C29H32F3N7O.3C29H31F3N6O.C28H29F3N6O.C26H27F3N8O.C26H29N7O/c1-18-13-20-5-6-21(14-23(20)16-33-18)26-19(2)34-27(38(26)4)36-28(40)35-24-8-7-22(25(15-24)29(30,31)32)17-39-11-9-37(3)10-12-39;1-18-33-17-22-13-21(5-7-26(22)34-18)27-15-24(36-38(27)3)16-28(39)35-23-6-4-20(25(14-23)29(30,31)32)12-19-8-10-37(2)11-9-19;1-19-12-21-6-7-22(15-24(21)17-33-19)26-16-27(35-37(26)3)34-28(39)14-20-4-5-23(25(13-20)29(30,31)32)18-38-10-8-36(2)9-11-38;1-18-12-20-4-5-22(14-23(20)17-33-18)26-16-27(36-38(26)3)35-28(39)34-24-7-6-21(25(15-24)29(30,31)32)13-19-8-10-37(2)11-9-19;1-18-11-19-3-4-20(12-22(19)15-32-18)23-13-26(33-16-23)35-27(38)34-24-6-5-21(25(14-24)28(29,30)31)17-37-9-7-36(2)8-10-37;1-35-9-11-37(12-10-35)16-19-5-6-21(14-22(19)26(27,28)29)31-25(38)33-24-32-23(36(2)34-24)18-4-3-17-7-8-30-15-20(17)13-18;1-31-11-13-33(14-12-31)18-19-3-7-23(8-4-19)28-26(34)29-25-16-24(32(2)30-25)21-6-5-20-9-10-27-17-22(20)15-21/h5-8,13-16H,9-12,17H2,1-4H3,(H2,34,35,36,40);4-7,13-15,17,19H,8-12,16H2,1-3H3,(H,35,39);4-7,12-13,15-17H,8-11,14,18H2,1-3H3,(H,34,35,39);4-7,12,14-17,19H,8-11,13H2,1-3H3,(H2,34,35,36,39);3-6,11-15H,7-10,16-17H2,1-2H3,(H2,33,34,35,38);3-8,13-15H,9-12,16H2,1-2H3,(H2,31,33,34,38);3-10,15-17H,11-14,18H2,1-2H3,(H2,28,29,30,34)/p+1
InChIKeyDIAAQGPOQIOMDM-UHFFFAOYSA-O
XLogP35.28
TPSA539.87 Ų
H-Bond Donors13
H-Bond Acceptors39
Rotatable Bonds36
Heavy Atoms267
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003665.12
LogP ≤ 535.28
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-[1,4-dimethyl-5-(3-methylisoquinolin-7-yl)imidazol-2-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-(3-isoquinolin-7-yl-2-methyl-1H-1,2,4-triazol-2-ium-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[3-(3-methylisoquinolin-7-yl)-2H-pyrrol-5-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

5-[1-[5-[3-carbamoyl-1-[2-[2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-4-pyridinyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridazin-3-yl]pyridazin-1-ium-4-yl]-1-[2-[4-fluoro-2-[[2-(5-methyl-3-oxopyrazolidin-1-yl)-3-pyridinyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 123927541
5-[7-(difluoromethyl)-3-[1-[5-[7-(difluoromethyl)-3-[1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-indol-7-yl]ethyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-7-yl]ethyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N,7-dimethyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide
CID 132181501
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
N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136619711
2-fluoro-N-[5-[5-[4-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-1,2-dimethylimidazol-4-yl]phenyl]pyrimidin-2-yl]-2-(4-fluorophenyl)pyrazol-3-yl]-5-(1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 137091868
N-[5-[3-[4-(4-fluorophenyl)-6,7-dihydro-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-[7-(4-fluorophenyl)-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-2-methylpropanamide
CID 137138729
N-[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-[7-(4-fluorophenyl)-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-2-methylpropanamide
CID 137156192
6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[6-[4-[5-[[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carbonyl]amino]pyridazin-4-yl]piperazin-1-yl]-3-(trifluoromethyl)pyridazin-4-yl]-1H-indole-2-carboxamide
CID 137387422
4-[3-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]-3-(trifluoromethyl)indazol-5-yl]-6-[[7-[3-[[1-(trifluoromethyl)isoquinolin-6-yl]amino]-1H-pyrazolo[3,4-b]pyrazin-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]isoquinolin-1-yl]morpholin-3-one
CID 137551823
2-[7-(difluoromethyl)-4-[2-[5-[7-(difluoromethyl)-4-[2-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-7-yl]propyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-indol-7-yl]propyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N,5-dimethylpyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 138655261
N-[5-[1-[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluoroanilino]ethyl-methylamino]-4-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-fluoro-2H-quinolin-6-yl]pyridin-3-yl]cyclohexanecarboxamide
CID 145034647
N-[5-[6-fluoro-7-[4-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 145034654

Frequently Asked Questions

What is the IUPAC name of 1-[1,4-dimethyl-5-(3-methylisoquinolin-7-yl)imidazol-2-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-(3-isoquinolin-7-yl-2-methyl-1H-1,2,4-triazol-2-ium-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[3-(3-methylisoquinolin-7-yl)-2H-pyrrol-5-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 1-[1,4-dimethyl-5-(3-methylisoquinolin-7-yl)imidazol-2-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-(3-isoquinolin-7-yl-2-methyl-1H-1,2,4-triazol-2-ium-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[3-(3-methylisoquinolin-7-yl)-2H-pyrrol-5-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide (CID 159905287) is 1-[1,4-dimethyl-5-(3-methylisoquinolin-7-yl)imidazol-2-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-(3-isoquinolin-7-yl-2-methyl-1H-1,2,4-triazol-2-ium-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[3-(3-methylisoquinolin-7-yl)-2H-pyrrol-5-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 1-[1,4-dimethyl-5-(3-methylisoquinolin-7-yl)imidazol-2-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-(3-isoquinolin-7-yl-2-methyl-1H-1,2,4-triazol-2-ium-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[3-(3-methylisoquinolin-7-yl)-2H-pyrrol-5-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 1-[1,4-dimethyl-5-(3-methylisoquinolin-7-yl)imidazol-2-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-(3-isoquinolin-7-yl-2-methyl-1H-1,2,4-triazol-2-ium-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[3-(3-methylisoquinolin-7-yl)-2H-pyrrol-5-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide is CN1CCN(Cc2ccc(NC(=O)Nc3cc(-c4ccc5ccncc5c4)n(C)n3)cc2)CC1.CN1CCN(Cc2ccc(NC(=O)Nc3nc(-c4ccc5ccncc5c4)[n+](C)[nH]3)cc2C(F)(F)F)CC1.Cc1cc2ccc(-c3c(C)nc(NC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)n3C)cc2cn1.Cc1cc2ccc(-c3cc(NC(=O)Cc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)cc2cn1.Cc1cc2ccc(-c3cc(NC(=O)Nc4ccc(CC5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)cc2cn1.Cc1cc2ccc(C3=CC(NC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)=NC3)cc2cn1.Cc1ncc2cc(-c3cc(CC(=O)Nc4ccc(CC5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)ccc2n1.
What is the InChIKey of 1-[1,4-dimethyl-5-(3-methylisoquinolin-7-yl)imidazol-2-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-(3-isoquinolin-7-yl-2-methyl-1H-1,2,4-triazol-2-ium-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[3-(3-methylisoquinolin-7-yl)-2H-pyrrol-5-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DIAAQGPOQIOMDM-UHFFFAOYSA-O. The full InChI is InChI=1S/C29H32F3N7O.3C29H31F3N6O.C28H29F3N6O.C26H27F3N8O.C26H29N7O/c1-18-13-20-5-6-21(14-23(20)16-33-18)26-19(2)34-27(38(26)4)36-28(40)35-24-8-7-22(25(15-24)29(30,31)32)17-39-11-9-37(3)10-12-39;1-18-33-17-22-13-21(5-7-26(22)34-18)27-15-24(36-38(27)3)16-28(39)35-23-6-4-20(25(14-23)29(30,31)32)12-19-8-10-37(2)11-9-19;1-19-12-21-6-7-22(15-24(21)17-33-19)26-16-27(35-37(26)3)34-28(39)14-20-4-5-23(25(13-20)29(30,31)32)18-38-10-8-36(2)9-11-38;1-18-12-20-4-5-22(14-23(20)17-33-18)26-16-27(36-38(26)3)35-28(39)34-24-7-6-21(25(15-24)29(30,31)32)13-19-8-10-37(2)11-9-19;1-18-11-19-3-4-20(12-22(19)15-32-18)23-13-26(33-16-23)35-27(38)34-24-6-5-21(25(14-24)28(29,30)31)17-37-9-7-36(2)8-10-37;1-35-9-11-37(12-10-35)16-19-5-6-21(14-22(19)26(27,28)29)31-25(38)33-24-32-23(36(2)34-24)18-4-3-17-7-8-30-15-20(17)13-18;1-31-11-13-33(14-12-31)18-19-3-7-23(8-4-19)28-26(34)29-25-16-24(32(2)30-25)21-6-5-20-9-10-27-17-22(20)15-21/h5-8,13-16H,9-12,17H2,1-4H3,(H2,34,35,36,40);4-7,13-15,17,19H,8-12,16H2,1-3H3,(H,35,39);4-7,12-13,15-17H,8-11,14,18H2,1-3H3,(H,34,35,39);4-7,12,14-17,19H,8-11,13H2,1-3H3,(H2,34,35,36,39);3-6,11-15H,7-10,16-17H2,1-2H3,(H2,33,34,35,38);3-8,13-15H,9-12,16H2,1-2H3,(H2,31,33,34,38);3-10,15-17H,11-14,18H2,1-2H3,(H2,28,29,30,34)/p+1.
What are the key properties of 1-[1,4-dimethyl-5-(3-methylisoquinolin-7-yl)imidazol-2-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-(3-isoquinolin-7-yl-2-methyl-1H-1,2,4-triazol-2-ium-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[3-(3-methylisoquinolin-7-yl)-2H-pyrrol-5-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
1-[1,4-dimethyl-5-(3-methylisoquinolin-7-yl)imidazol-2-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-(3-isoquinolin-7-yl-2-methyl-1H-1,2,4-triazol-2-ium-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[3-(3-methylisoquinolin-7-yl)-2H-pyrrol-5-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 3665.12 g/mol, XLogP of 35.28, 36 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,4-dimethyl-5-(3-methylisoquinolin-7-yl)imidazol-2-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-(3-isoquinolin-7-yl-2-methyl-1H-1,2,4-triazol-2-ium-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[3-(3-methylisoquinolin-7-yl)-2H-pyrrol-5-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 159905287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).