N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide

C240H233F22N45O17S8 — CID 165022131

IUPACN-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
SMILESCCN1CCN(C(=O)c2cc(NC(=O)c3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)Nc3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5c4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)Nc3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)Nc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)Nc3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)c3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1-c1ccc2nc(NC(=O)C3CC3)sc2n1.Cc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1ccc2nc(NC(=O)C3CC3)sc2n1
InChIInChI=1S/C33H34F3N5O2S.C32H34F3N7O2S.C32H31F3N6O3S.2C32H33F3N6O2S.C31H31F3N6O2S.C24H19F2N5O2S.C24H18F2N4O2S/c1-3-40-10-12-41(13-11-40)19-21-14-24(16-25(15-21)33(34,35)36)31(43)37-26-8-4-20(2)27(18-26)23-7-9-28-29(17-23)44-32(38-28)39-30(42)22-5-6-22;1-3-41-10-12-42(13-11-41)18-20-14-22(32(33,34)35)16-24(15-20)37-30(44)36-23-7-4-19(2)25(17-23)26-8-9-27-29(38-26)45-31(39-27)40-28(43)21-5-6-21;1-3-40-10-12-41(13-11-40)30(44)21-14-22(32(33,34)35)17-23(15-21)36-28(43)20-5-4-18(2)24(16-20)25-8-9-26-29(37-25)45-31(38-26)39-27(42)19-6-7-19;1-3-40-10-12-41(13-11-40)18-20-14-22(16-23(15-20)32(33,34)35)29(43)36-24-7-4-19(2)25(17-24)26-8-9-27-30(37-26)44-31(38-27)39-28(42)21-5-6-21;1-3-40-10-12-41(13-11-40)18-20-14-23(32(33,34)35)17-24(15-20)36-29(43)22-5-4-19(2)25(16-22)26-8-9-27-30(37-26)44-31(38-27)39-28(42)21-6-7-21;1-2-39-10-12-40(13-11-39)18-19-14-22(16-23(15-19)31(32,33)34)28(42)35-24-5-3-4-21(17-24)25-8-9-26-29(36-25)43-30(37-26)38-27(41)20-6-7-20;1-12-2-6-15(27-23(33)29-19-7-5-14(25)10-17(19)26)11-16(12)18-8-9-20-22(28-18)34-24(30-20)31-21(32)13-3-4-13;1-12-2-3-14(22(32)27-19-7-6-15(25)11-17(19)26)10-16(12)18-8-9-20-23(28-18)33-24(29-20)30-21(31)13-4-5-13/h4,7-9,14-18,22H,3,5-6,10-13,19H2,1-2H3,(H,37,43)(H,38,39,42);4,7-9,14-17,21H,3,5-6,10-13,18H2,1-2H3,(H2,36,37,44)(H,39,40,43);4-5,8-9,14-17,19H,3,6-7,10-13H2,1-2H3,(H,36,43)(H,38,39,42);4,7-9,14-17,21H,3,5-6,10-13,18H2,1-2H3,(H,36,43)(H,38,39,42);4-5,8-9,14-17,21H,3,6-7,10-13,18H2,1-2H3,(H,36,43)(H,38,39,42);3-5,8-9,14-17,20H,2,6-7,10-13,18H2,1H3,(H,35,42)(H,37,38,41);2,5-11,13H,3-4H2,1H3,(H2,27,29,33)(H,30,31,32);2-3,6-11,13H,4-5H2,1H3,(H,27,32)(H,29,30,31)
InChIKeyLHZRLXFKZWUCHK-UHFFFAOYSA-N
MW4694.29 g/mol
LogP50.35
Rot. Bonds57

About N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide

N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 165022131) has the molecular formula C240H233F22N45O17S8 and a molecular weight of 4694.29 g/mol. Its IUPAC name is N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID165022131
Molecular FormulaC240H233F22N45O17S8
Molecular Weight4694.29 g/mol
Exact Mass4690.62
IUPAC NameN-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
SMILESCCN1CCN(C(=O)c2cc(NC(=O)c3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)Nc3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5c4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)Nc3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)Nc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)Nc3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)c3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1-c1ccc2nc(NC(=O)C3CC3)sc2n1.Cc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1ccc2nc(NC(=O)C3CC3)sc2n1
InChIInChI=1S/C33H34F3N5O2S.C32H34F3N7O2S.C32H31F3N6O3S.2C32H33F3N6O2S.C31H31F3N6O2S.C24H19F2N5O2S.C24H18F2N4O2S/c1-3-40-10-12-41(13-11-40)19-21-14-24(16-25(15-21)33(34,35)36)31(43)37-26-8-4-20(2)27(18-26)23-7-9-28-29(17-23)44-32(38-28)39-30(42)22-5-6-22;1-3-41-10-12-42(13-11-41)18-20-14-22(32(33,34)35)16-24(15-20)37-30(44)36-23-7-4-19(2)25(17-23)26-8-9-27-29(38-26)45-31(39-27)40-28(43)21-5-6-21;1-3-40-10-12-41(13-11-40)30(44)21-14-22(32(33,34)35)17-23(15-21)36-28(43)20-5-4-18(2)24(16-20)25-8-9-26-29(37-25)45-31(38-26)39-27(42)19-6-7-19;1-3-40-10-12-41(13-11-40)18-20-14-22(16-23(15-20)32(33,34)35)29(43)36-24-7-4-19(2)25(17-24)26-8-9-27-30(37-26)44-31(38-27)39-28(42)21-5-6-21;1-3-40-10-12-41(13-11-40)18-20-14-23(32(33,34)35)17-24(15-20)36-29(43)22-5-4-19(2)25(16-22)26-8-9-27-30(37-26)44-31(38-27)39-28(42)21-6-7-21;1-2-39-10-12-40(13-11-39)18-19-14-22(16-23(15-19)31(32,33)34)28(42)35-24-5-3-4-21(17-24)25-8-9-26-29(36-25)43-30(37-26)38-27(41)20-6-7-20;1-12-2-6-15(27-23(33)29-19-7-5-14(25)10-17(19)26)11-16(12)18-8-9-20-22(28-18)34-24(30-20)31-21(32)13-3-4-13;1-12-2-3-14(22(32)27-19-7-6-15(25)11-17(19)26)10-16(12)18-8-9-20-23(28-18)33-24(29-20)30-21(31)13-4-5-13/h4,7-9,14-18,22H,3,5-6,10-13,19H2,1-2H3,(H,37,43)(H,38,39,42);4,7-9,14-17,21H,3,5-6,10-13,18H2,1-2H3,(H2,36,37,44)(H,39,40,43);4-5,8-9,14-17,19H,3,6-7,10-13H2,1-2H3,(H,36,43)(H,38,39,42);4,7-9,14-17,21H,3,5-6,10-13,18H2,1-2H3,(H,36,43)(H,38,39,42);4-5,8-9,14-17,21H,3,6-7,10-13,18H2,1-2H3,(H,36,43)(H,38,39,42);3-5,8-9,14-17,20H,2,6-7,10-13,18H2,1H3,(H,35,42)(H,37,38,41);2,5-11,13H,3-4H2,1H3,(H2,27,29,33)(H,30,31,32);2-3,6-11,13H,4-5H2,1H3,(H,27,32)(H,29,30,31)
InChIKeyLHZRLXFKZWUCHK-UHFFFAOYSA-N
XLogP50.35
TPSA738.96 Ų
H-Bond Donors18
H-Bond Acceptors51
Rotatable Bonds57
Heavy Atoms332
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004694.29
LogP ≤ 550.35
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1051

Analyze N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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What is the IUPAC name of N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide (CID 165022131) is N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide is CCN1CCN(C(=O)c2cc(NC(=O)c3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)Nc3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5c4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)Nc3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(C(=O)Nc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)Nc3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(Cc2cc(NC(=O)c3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)CC1.Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1-c1ccc2nc(NC(=O)C3CC3)sc2n1.Cc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1ccc2nc(NC(=O)C3CC3)sc2n1.
What is the InChIKey of N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is LHZRLXFKZWUCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F3N5O2S.C32H34F3N7O2S.C32H31F3N6O3S.2C32H33F3N6O2S.C31H31F3N6O2S.C24H19F2N5O2S.C24H18F2N4O2S/c1-3-40-10-12-41(13-11-40)19-21-14-24(16-25(15-21)33(34,35)36)31(43)37-26-8-4-20(2)27(18-26)23-7-9-28-29(17-23)44-32(38-28)39-30(42)22-5-6-22;1-3-41-10-12-42(13-11-41)18-20-14-22(32(33,34)35)16-24(15-20)37-30(44)36-23-7-4-19(2)25(17-23)26-8-9-27-29(38-26)45-31(39-27)40-28(43)21-5-6-21;1-3-40-10-12-41(13-11-40)30(44)21-14-22(32(33,34)35)17-23(15-21)36-28(43)20-5-4-18(2)24(16-20)25-8-9-26-29(37-25)45-31(38-26)39-27(42)19-6-7-19;1-3-40-10-12-41(13-11-40)18-20-14-22(16-23(15-20)32(33,34)35)29(43)36-24-7-4-19(2)25(17-24)26-8-9-27-30(37-26)44-31(38-27)39-28(42)21-5-6-21;1-3-40-10-12-41(13-11-40)18-20-14-23(32(33,34)35)17-24(15-20)36-29(43)22-5-4-19(2)25(16-22)26-8-9-27-30(37-26)44-31(38-27)39-28(42)21-6-7-21;1-2-39-10-12-40(13-11-39)18-19-14-22(16-23(15-19)31(32,33)34)28(42)35-24-5-3-4-21(17-24)25-8-9-26-29(36-25)43-30(37-26)38-27(41)20-6-7-20;1-12-2-6-15(27-23(33)29-19-7-5-14(25)10-17(19)26)11-16(12)18-8-9-20-22(28-18)34-24(30-20)31-21(32)13-3-4-13;1-12-2-3-14(22(32)27-19-7-6-15(25)11-17(19)26)10-16(12)18-8-9-20-23(28-18)33-24(29-20)30-21(31)13-4-5-13/h4,7-9,14-18,22H,3,5-6,10-13,19H2,1-2H3,(H,37,43)(H,38,39,42);4,7-9,14-17,21H,3,5-6,10-13,18H2,1-2H3,(H2,36,37,44)(H,39,40,43);4-5,8-9,14-17,19H,3,6-7,10-13H2,1-2H3,(H,36,43)(H,38,39,42);4,7-9,14-17,21H,3,5-6,10-13,18H2,1-2H3,(H,36,43)(H,38,39,42);4-5,8-9,14-17,21H,3,6-7,10-13,18H2,1-2H3,(H,36,43)(H,38,39,42);3-5,8-9,14-17,20H,2,6-7,10-13,18H2,1H3,(H,35,42)(H,37,38,41);2,5-11,13H,3-4H2,1H3,(H2,27,29,33)(H,30,31,32);2-3,6-11,13H,4-5H2,1H3,(H,27,32)(H,29,30,31).
What are the key properties of N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 4694.29 g/mol, XLogP of 50.35, 57 rotatable bonds, 18 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2,4-difluorophenyl)-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-ethylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide;N-[5-[5-[(2,4-difluorophenyl)carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 165022131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).