N-[5-[2-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;2-[2,5-bis(trifluoromethyl)phenyl]acetic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]carbamate;tert-butyl N-[2-[[4-[[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]amino]-2-oxoethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

C196H232F30N38O26 — CID 159728346

IUPACN-[5-[2-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;2-[2,5-bis(trifluoromethyl)phenyl]acetic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]carbamate;tert-butyl N-[2-[[4-[[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]amino]-2-oxoethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCC(C)(C)OC(=O)NCC(=O)O.CCc1cc(-c2cc(N)nn2C)cc2cnc(N(C(=O)OC(C)(C)C)C3CCC(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC3)nc12.CCc1cc(-c2cc(NC(=O)Cc3cc(C(F)(F)F)ccc3C(F)(F)F)nn2C)cc2cnc(N(C(=O)OC(C)(C)C)C3CCC(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC3)nc12.CCc1cc(-c2cc(NC(=O)Cc3cc(C(F)(F)F)ccc3C(F)(F)F)nn2C)cc2cnc(NC3CCC(N)CC3)nc12.CCc1cc(-c2cc(NC(=O)Cc3cc(C(F)(F)F)ccc3C(F)(F)F)nn2C)cc2cnc(NC3CCC(NC(=O)CN)CC3)nc12.CCc1cc(-c2cc(NC(=O)Cc3cc(C(F)(F)F)ccc3C(F)(F)F)nn2C)cc2cnc(NC3CCC(NC(=O)CNC(=O)OC(C)(C)C)CC3)nc12.O=C(O)Cc1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C45H55F6N7O7.C37H42F6N8O4.C35H51N7O6.C32H34F6N8O2.C30H31F6N7O.C10H6F6O2.C7H13NO4/c1-12-25-19-27(33-23-34(55-56(33)11)53-35(59)22-26-21-29(44(46,47)48)13-18-32(26)45(49,50)51)20-28-24-52-37(54-36(25)28)57(38(60)63-41(2,3)4)30-14-16-31(17-15-30)58(39(61)64-42(5,6)7)40(62)65-43(8,9)10;1-6-20-13-22(28-17-29(50-51(28)5)48-30(52)16-21-15-24(36(38,39)40)7-12-27(21)37(41,42)43)14-23-18-44-33(49-32(20)23)47-26-10-8-25(9-11-26)46-31(53)19-45-34(54)55-35(2,3)4;1-12-21-17-22(26-19-27(36)39-40(26)11)18-23-20-37-29(38-28(21)23)41(30(43)46-33(2,3)4)24-13-15-25(16-14-24)42(31(44)47-34(5,6)7)32(45)48-35(8,9)10;1-3-17-10-19(11-20-16-40-30(44-29(17)20)42-23-7-5-22(6-8-23)41-28(48)15-39)25-14-26(45-46(25)2)43-27(47)13-18-12-21(31(33,34)35)4-9-24(18)32(36,37)38;1-3-16-10-18(11-19-15-38-28(41-27(16)19)39-22-7-5-21(37)6-8-22)24-14-25(42-43(24)2)40-26(44)13-17-12-20(29(31,32)33)4-9-23(17)30(34,35)36;11-9(12,13)6-1-2-7(10(14,15)16)5(3-6)4-8(17)18;1-7(2,3)12-6(11)8-4-5(9)10/h13,18-21,23-24,30-31H,12,14-17,22H2,1-11H3,(H,53,55,59);7,12-15,17-18,25-26H,6,8-11,16,19H2,1-5H3,(H,45,54)(H,46,53)(H,44,47,49)(H,48,50,52);17-20,24-25H,12-16H2,1-11H3,(H2,36,39);4,9-12,14,16,22-23H,3,5-8,13,15,39H2,1-2H3,(H,41,48)(H,40,42,44)(H,43,45,47);4,9-12,14-15,21-22H,3,5-8,13,37H2,1-2H3,(H,38,39,41)(H,40,42,44);1-3H,4H2,(H,17,18);4H2,1-3H3,(H,8,11)(H,9,10)
InChIKeyNAXLEARSGRXRDE-UHFFFAOYSA-N
MW4106.19 g/mol
LogP41.66
Rot. Bonds43

About N-[5-[2-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;2-[2,5-bis(trifluoromethyl)phenyl]acetic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]carbamate;tert-butyl N-[2-[[4-[[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]amino]-2-oxoethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

N-[5-[2-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;2-[2,5-bis(trifluoromethyl)phenyl]acetic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]carbamate;tert-butyl N-[2-[[4-[[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]amino]-2-oxoethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (PubChem CID 159728346) has the molecular formula C196H232F30N38O26 and a molecular weight of 4106.19 g/mol. Its IUPAC name is N-[5-[2-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;2-[2,5-bis(trifluoromethyl)phenyl]acetic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]carbamate;tert-butyl N-[2-[[4-[[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]amino]-2-oxoethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.

Molecular Properties

Compound NameN-[5-[2-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;2-[2,5-bis(trifluoromethyl)phenyl]acetic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]carbamate;tert-butyl N-[2-[[4-[[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]amino]-2-oxoethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
PubChem CID159728346
Molecular FormulaC196H232F30N38O26
Molecular Weight4106.19 g/mol
Exact Mass4103.75
IUPAC NameN-[5-[2-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;2-[2,5-bis(trifluoromethyl)phenyl]acetic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]carbamate;tert-butyl N-[2-[[4-[[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]amino]-2-oxoethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCC(C)(C)OC(=O)NCC(=O)O.CCc1cc(-c2cc(N)nn2C)cc2cnc(N(C(=O)OC(C)(C)C)C3CCC(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC3)nc12.CCc1cc(-c2cc(NC(=O)Cc3cc(C(F)(F)F)ccc3C(F)(F)F)nn2C)cc2cnc(N(C(=O)OC(C)(C)C)C3CCC(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC3)nc12.CCc1cc(-c2cc(NC(=O)Cc3cc(C(F)(F)F)ccc3C(F)(F)F)nn2C)cc2cnc(NC3CCC(N)CC3)nc12.CCc1cc(-c2cc(NC(=O)Cc3cc(C(F)(F)F)ccc3C(F)(F)F)nn2C)cc2cnc(NC3CCC(NC(=O)CN)CC3)nc12.CCc1cc(-c2cc(NC(=O)Cc3cc(C(F)(F)F)ccc3C(F)(F)F)nn2C)cc2cnc(NC3CCC(NC(=O)CNC(=O)OC(C)(C)C)CC3)nc12.O=C(O)Cc1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C45H55F6N7O7.C37H42F6N8O4.C35H51N7O6.C32H34F6N8O2.C30H31F6N7O.C10H6F6O2.C7H13NO4/c1-12-25-19-27(33-23-34(55-56(33)11)53-35(59)22-26-21-29(44(46,47)48)13-18-32(26)45(49,50)51)20-28-24-52-37(54-36(25)28)57(38(60)63-41(2,3)4)30-14-16-31(17-15-30)58(39(61)64-42(5,6)7)40(62)65-43(8,9)10;1-6-20-13-22(28-17-29(50-51(28)5)48-30(52)16-21-15-24(36(38,39)40)7-12-27(21)37(41,42)43)14-23-18-44-33(49-32(20)23)47-26-10-8-25(9-11-26)46-31(53)19-45-34(54)55-35(2,3)4;1-12-21-17-22(26-19-27(36)39-40(26)11)18-23-20-37-29(38-28(21)23)41(30(43)46-33(2,3)4)24-13-15-25(16-14-24)42(31(44)47-34(5,6)7)32(45)48-35(8,9)10;1-3-17-10-19(11-20-16-40-30(44-29(17)20)42-23-7-5-22(6-8-23)41-28(48)15-39)25-14-26(45-46(25)2)43-27(47)13-18-12-21(31(33,34)35)4-9-24(18)32(36,37)38;1-3-16-10-18(11-19-15-38-28(41-27(16)19)39-22-7-5-21(37)6-8-22)24-14-25(42-43(24)2)40-26(44)13-17-12-20(29(31,32)33)4-9-23(17)30(34,35)36;11-9(12,13)6-1-2-7(10(14,15)16)5(3-6)4-8(17)18;1-7(2,3)12-6(11)8-4-5(9)10/h13,18-21,23-24,30-31H,12,14-17,22H2,1-11H3,(H,53,55,59);7,12-15,17-18,25-26H,6,8-11,16,19H2,1-5H3,(H,45,54)(H,46,53)(H,44,47,49)(H,48,50,52);17-20,24-25H,12-16H2,1-11H3,(H2,36,39);4,9-12,14,16,22-23H,3,5-8,13,15,39H2,1-2H3,(H,41,48)(H,40,42,44)(H,43,45,47);4,9-12,14-15,21-22H,3,5-8,13,37H2,1-2H3,(H,38,39,41)(H,40,42,44);1-3H,4H2,(H,17,18);4H2,1-3H3,(H,8,11)(H,9,10)
InChIKeyNAXLEARSGRXRDE-UHFFFAOYSA-N
XLogP41.66
TPSA828.77 Ų
H-Bond Donors16
H-Bond Acceptors50
Rotatable Bonds43
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004106.19
LogP ≤ 541.66
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1050

Analyze N-[5-[2-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;2-[2,5-bis(trifluoromethyl)phenyl]acetic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]carbamate;tert-butyl N-[2-[[4-[[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]amino]-2-oxoethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid with MolForge

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Related Compounds

N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-(3,5-dimethylphenyl)acetamide;5-bromo-1-methylpyrazol-3-amine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-[[6-[3-[[2-(3,5-dimethylphenyl)acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-(3,5-dimethylphenyl)acetic acid
CID 157141558
CID 157662133
CID 157662133
N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;(E)-3-bromo-3-(methylamino)prop-2-enimidamide;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-[[8-ethyl-6-[1-methyl-3-[[2-(3-methylphenyl)acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-(3-methylphenyl)acetic acid
CID 158055112
N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;5-bromo-1-methylpyrazol-3-amine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-[[8-ethyl-6-[1-methyl-3-[[2-(3-methylphenyl)acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-(3-methylphenyl)acetic acid
CID 158560974
1-[5-(4-amino-2-methylquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-(4-aminoquinazolin-6-yl)-1-methylpyrazol-3-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]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
CID 158655829
1-[1,4-dimethyl-5-(3-methylisoquinolin-7-yl)-1,2,4-triazol-4-ium-3-yl]-3-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]urea;methane;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 158827034
1-[5-(1-aminoisoquinolin-7-yl)-1-methylpyrazol-3-yl]-3-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;N-[5-(1-aminoisoquinolin-7-yl)-1-methylpyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;methane;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-[1-methyl-5-(2-methylpyrido[2,3-d]pyrimidin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-[1-methyl-5-(2-methylquinolin-7-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
CID 159369729
N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-(3,5-dimethylphenyl)acetamide;(E)-3-bromo-3-(methylamino)prop-2-enimidamide;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-[[6-[3-[[2-(3,5-dimethylphenyl)acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-(3,5-dimethylphenyl)acetic acid
CID 159459708
N-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[6-[1-methyl-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]carbamate;2-[3-(trifluoromethyl)phenyl]acetic acid
CID 159966661
N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]propanamide;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-[1-methyl-3-[2-[3-(trifluoromethyl)phenyl]propanoylamino]pyrazol-5-yl]quinazolin-2-yl]carbamate;iodomethane;2-(3-methylphenyl)acetic acid;2-(3-methylphenyl)propanoic acid
CID 160525559
N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-(3-fluoro-5-methylphenyl)acetamide;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-[3-[[2-(3-fluoro-5-methylphenyl)acetyl]amino]-1-methylpyrazol-5-yl]quinazolin-2-yl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-(2-methyl-5-oxo-1H-pyrazol-3-yl)quinazolin-2-yl]carbamate;1-fluoro-3-(isocyanomethyl)-5-methylbenzene;2-(3-fluoro-5-methylphenyl)acetic acid;2,2,2-trifluoroacetaldehyde;hydrate
CID 161238331
tert-butyl N-[4-[[8-ethyl-6-[1-methyl-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]-N-(2-methoxyethyl)carbamate;N-[5-[8-ethyl-2-[[4-(3-methoxypropyl)cyclohexyl]amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161423629

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;2-[2,5-bis(trifluoromethyl)phenyl]acetic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]carbamate;tert-butyl N-[2-[[4-[[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]amino]-2-oxoethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The IUPAC name of N-[5-[2-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;2-[2,5-bis(trifluoromethyl)phenyl]acetic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]carbamate;tert-butyl N-[2-[[4-[[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]amino]-2-oxoethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (CID 159728346) is N-[5-[2-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;2-[2,5-bis(trifluoromethyl)phenyl]acetic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]carbamate;tert-butyl N-[2-[[4-[[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]amino]-2-oxoethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.
What is the SMILES notation for N-[5-[2-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;2-[2,5-bis(trifluoromethyl)phenyl]acetic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]carbamate;tert-butyl N-[2-[[4-[[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]amino]-2-oxoethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The canonical SMILES for N-[5-[2-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;2-[2,5-bis(trifluoromethyl)phenyl]acetic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]carbamate;tert-butyl N-[2-[[4-[[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]amino]-2-oxoethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is CC(C)(C)OC(=O)NCC(=O)O.CCc1cc(-c2cc(N)nn2C)cc2cnc(N(C(=O)OC(C)(C)C)C3CCC(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC3)nc12.CCc1cc(-c2cc(NC(=O)Cc3cc(C(F)(F)F)ccc3C(F)(F)F)nn2C)cc2cnc(N(C(=O)OC(C)(C)C)C3CCC(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC3)nc12.CCc1cc(-c2cc(NC(=O)Cc3cc(C(F)(F)F)ccc3C(F)(F)F)nn2C)cc2cnc(NC3CCC(N)CC3)nc12.CCc1cc(-c2cc(NC(=O)Cc3cc(C(F)(F)F)ccc3C(F)(F)F)nn2C)cc2cnc(NC3CCC(NC(=O)CN)CC3)nc12.CCc1cc(-c2cc(NC(=O)Cc3cc(C(F)(F)F)ccc3C(F)(F)F)nn2C)cc2cnc(NC3CCC(NC(=O)CNC(=O)OC(C)(C)C)CC3)nc12.O=C(O)Cc1cc(C(F)(F)F)ccc1C(F)(F)F.
What is the InChIKey of N-[5-[2-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;2-[2,5-bis(trifluoromethyl)phenyl]acetic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]carbamate;tert-butyl N-[2-[[4-[[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]amino]-2-oxoethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The InChIKey is NAXLEARSGRXRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H55F6N7O7.C37H42F6N8O4.C35H51N7O6.C32H34F6N8O2.C30H31F6N7O.C10H6F6O2.C7H13NO4/c1-12-25-19-27(33-23-34(55-56(33)11)53-35(59)22-26-21-29(44(46,47)48)13-18-32(26)45(49,50)51)20-28-24-52-37(54-36(25)28)57(38(60)63-41(2,3)4)30-14-16-31(17-15-30)58(39(61)64-42(5,6)7)40(62)65-43(8,9)10;1-6-20-13-22(28-17-29(50-51(28)5)48-30(52)16-21-15-24(36(38,39)40)7-12-27(21)37(41,42)43)14-23-18-44-33(49-32(20)23)47-26-10-8-25(9-11-26)46-31(53)19-45-34(54)55-35(2,3)4;1-12-21-17-22(26-19-27(36)39-40(26)11)18-23-20-37-29(38-28(21)23)41(30(43)46-33(2,3)4)24-13-15-25(16-14-24)42(31(44)47-34(5,6)7)32(45)48-35(8,9)10;1-3-17-10-19(11-20-16-40-30(44-29(17)20)42-23-7-5-22(6-8-23)41-28(48)15-39)25-14-26(45-46(25)2)43-27(47)13-18-12-21(31(33,34)35)4-9-24(18)32(36,37)38;1-3-16-10-18(11-19-15-38-28(41-27(16)19)39-22-7-5-21(37)6-8-22)24-14-25(42-43(24)2)40-26(44)13-17-12-20(29(31,32)33)4-9-23(17)30(34,35)36;11-9(12,13)6-1-2-7(10(14,15)16)5(3-6)4-8(17)18;1-7(2,3)12-6(11)8-4-5(9)10/h13,18-21,23-24,30-31H,12,14-17,22H2,1-11H3,(H,53,55,59);7,12-15,17-18,25-26H,6,8-11,16,19H2,1-5H3,(H,45,54)(H,46,53)(H,44,47,49)(H,48,50,52);17-20,24-25H,12-16H2,1-11H3,(H2,36,39);4,9-12,14,16,22-23H,3,5-8,13,15,39H2,1-2H3,(H,41,48)(H,40,42,44)(H,43,45,47);4,9-12,14-15,21-22H,3,5-8,13,37H2,1-2H3,(H,38,39,41)(H,40,42,44);1-3H,4H2,(H,17,18);4H2,1-3H3,(H,8,11)(H,9,10).
What are the key properties of N-[5-[2-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;2-[2,5-bis(trifluoromethyl)phenyl]acetic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]carbamate;tert-butyl N-[2-[[4-[[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]amino]-2-oxoethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
N-[5-[2-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;2-[2,5-bis(trifluoromethyl)phenyl]acetic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]carbamate;tert-butyl N-[2-[[4-[[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]amino]-2-oxoethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid has a molecular weight of 4106.19 g/mol, XLogP of 41.66, 43 rotatable bonds, 16 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;2-[2,5-bis(trifluoromethyl)phenyl]acetic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]carbamate;tert-butyl N-[2-[[4-[[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]amino]-2-oxoethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is sourced from PubChem (CID 159728346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).