3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-6-yl]-3,3-difluoropiperidine-1-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidine-2-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide

C308H317Cl11F17N71O45 — CID 158163247

IUPAC3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-6-yl]-3,3-difluoropiperidine-1-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidine-2-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(NC(=O)N3CCCC(F)(F)C3)ccc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)NCc3ccccc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)O)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(C)C)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)N3CCOCC3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)Nc3cccnc3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)Nc3cncnc3)ccc21.CN(C)c1ncc(-c2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)cn1.C[C@H](CO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.Cc1ccnc(C(=O)Nc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)n1
InChIInChI=1S/C34H34ClF3N6O4.C31H31ClFN5O4.C30H31ClF3N5O4.C29H32ClF3N6O4.2C28H28ClFN8O4.C28H28ClFN8O3.C27H27ClFN9O4.C27H31ClFN7O5.C24H24ClFN4O5.C22H23ClFN5O4/c1-20(2)43(17-29(46)40-27-11-6-9-24(31(27)36)23-8-4-5-10-26(23)35)30(47)18-44-28-13-12-22(16-25(28)32(41-44)21(3)45)39-33(48)42-15-7-14-34(37,38)19-42;1-19(2)37(17-27(40)34-16-23-10-7-11-25(32)29(23)33)28(41)18-38-26-13-12-22(14-24(26)30(36-38)20(3)39)31(42)35-15-21-8-5-4-6-9-21;1-18(40)23-14-38(25-12-20(6-9-22(23)25)36-29(43)37-11-3-10-30(33,34)17-37)16-27(42)39(21-7-8-21)15-26(41)35-13-19-4-2-5-24(31)28(19)32;1-17(2)38(14-24(41)34-13-19-6-4-7-22(30)26(19)31)25(42)15-39-23-9-8-20(12-21(23)27(36-39)18(3)40)35-28(43)37-11-5-10-29(32,33)16-37;1-15(2)37(13-22(39)33-12-17-5-4-6-20(29)24(17)30)23(40)14-38-21-8-7-18(11-19(21)25(36-38)26(31)41)35-28(42)27-32-10-9-16(3)34-27;1-16(2)37(14-23(39)33-12-17-5-3-7-21(29)25(17)30)24(40)15-38-22-9-8-18(11-20(22)26(36-38)27(31)41)34-28(42)35-19-6-4-10-32-13-19;1-36(2)28-33-12-18(13-34-28)16-6-9-22-20(10-16)26(27(31)41)35-38(22)15-24(40)37(19-7-8-19)14-23(39)32-11-17-4-3-5-21(29)25(17)30;1-15(2)37(12-22(39)33-9-16-4-3-5-20(28)24(16)29)23(40)13-38-21-7-6-17(8-19(21)25(36-38)26(30)41)34-27(42)35-18-10-31-14-32-11-18;1-16(2)35(14-22(37)31-13-17-4-3-5-20(28)24(17)29)23(38)15-36-21-7-6-18(12-19(21)25(33-36)26(30)39)32-27(40)34-8-10-41-11-9-34;1-13(2)29(11-20(32)27-10-16-5-4-6-18(25)22(16)26)21(33)12-30-19-8-7-15(24(34)35)9-17(19)23(28-30)14(3)31;1-13(12-30)28(10-18(31)26-9-14-5-4-7-16(23)20(14)24)19(32)11-29-17-8-3-2-6-15(17)21(27-29)22(25)33/h4-6,8-13,16,20H,7,14-15,17-19H2,1-3H3,(H,39,48)(H,40,46);4-14,19H,15-18H2,1-3H3,(H,34,40)(H,35,42);2,4-6,9,12,14,21H,3,7-8,10-11,13,15-17H2,1H3,(H,35,41)(H,36,43);4,6-9,12,17H,5,10-11,13-16H2,1-3H3,(H,34,41)(H,35,43);4-11,15H,12-14H2,1-3H3,(H2,31,41)(H,33,39)(H,35,42);3-11,13,16H,12,14-15H2,1-2H3,(H2,31,41)(H,33,39)(H2,34,35,42);3-6,9-10,12-13,19H,7-8,11,14-15H2,1-2H3,(H2,31,41)(H,32,39);3-8,10-11,14-15H,9,12-13H2,1-2H3,(H2,30,41)(H,33,39)(H2,34,35,42);3-7,12,16H,8-11,13-15H2,1-2H3,(H2,30,39)(H,31,37)(H,32,40);4-9,13H,10-12H2,1-3H3,(H,27,32)(H,34,35);2-8,13,30H,9-12H2,1H3,(H2,25,33)(H,26,31)/t;;;;;;;;;;13-/m..........1/s1
InChIKeyFWNMGECCZJZCSI-SICYGIJMSA-N
MW6446.33 g/mol
LogP40.51
Rot. Bonds105

About 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-6-yl]-3,3-difluoropiperidine-1-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidine-2-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide

3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-6-yl]-3,3-difluoropiperidine-1-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidine-2-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide (PubChem CID 158163247) has the molecular formula C308H317Cl11F17N71O45 and a molecular weight of 6446.33 g/mol. Its IUPAC name is 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-6-yl]-3,3-difluoropiperidine-1-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidine-2-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-6-yl]-3,3-difluoropiperidine-1-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidine-2-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide
PubChem CID158163247
Molecular FormulaC308H317Cl11F17N71O45
Molecular Weight6446.33 g/mol
Exact Mass6437.10
IUPAC Name3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-6-yl]-3,3-difluoropiperidine-1-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidine-2-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(NC(=O)N3CCCC(F)(F)C3)ccc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)NCc3ccccc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)O)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(C)C)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)N3CCOCC3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)Nc3cccnc3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)Nc3cncnc3)ccc21.CN(C)c1ncc(-c2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)cn1.C[C@H](CO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.Cc1ccnc(C(=O)Nc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)n1
InChIInChI=1S/C34H34ClF3N6O4.C31H31ClFN5O4.C30H31ClF3N5O4.C29H32ClF3N6O4.2C28H28ClFN8O4.C28H28ClFN8O3.C27H27ClFN9O4.C27H31ClFN7O5.C24H24ClFN4O5.C22H23ClFN5O4/c1-20(2)43(17-29(46)40-27-11-6-9-24(31(27)36)23-8-4-5-10-26(23)35)30(47)18-44-28-13-12-22(16-25(28)32(41-44)21(3)45)39-33(48)42-15-7-14-34(37,38)19-42;1-19(2)37(17-27(40)34-16-23-10-7-11-25(32)29(23)33)28(41)18-38-26-13-12-22(14-24(26)30(36-38)20(3)39)31(42)35-15-21-8-5-4-6-9-21;1-18(40)23-14-38(25-12-20(6-9-22(23)25)36-29(43)37-11-3-10-30(33,34)17-37)16-27(42)39(21-7-8-21)15-26(41)35-13-19-4-2-5-24(31)28(19)32;1-17(2)38(14-24(41)34-13-19-6-4-7-22(30)26(19)31)25(42)15-39-23-9-8-20(12-21(23)27(36-39)18(3)40)35-28(43)37-11-5-10-29(32,33)16-37;1-15(2)37(13-22(39)33-12-17-5-4-6-20(29)24(17)30)23(40)14-38-21-8-7-18(11-19(21)25(36-38)26(31)41)35-28(42)27-32-10-9-16(3)34-27;1-16(2)37(14-23(39)33-12-17-5-3-7-21(29)25(17)30)24(40)15-38-22-9-8-18(11-20(22)26(36-38)27(31)41)34-28(42)35-19-6-4-10-32-13-19;1-36(2)28-33-12-18(13-34-28)16-6-9-22-20(10-16)26(27(31)41)35-38(22)15-24(40)37(19-7-8-19)14-23(39)32-11-17-4-3-5-21(29)25(17)30;1-15(2)37(12-22(39)33-9-16-4-3-5-20(28)24(16)29)23(40)13-38-21-7-6-17(8-19(21)25(36-38)26(30)41)34-27(42)35-18-10-31-14-32-11-18;1-16(2)35(14-22(37)31-13-17-4-3-5-20(28)24(17)29)23(38)15-36-21-7-6-18(12-19(21)25(33-36)26(30)39)32-27(40)34-8-10-41-11-9-34;1-13(2)29(11-20(32)27-10-16-5-4-6-18(25)22(16)26)21(33)12-30-19-8-7-15(24(34)35)9-17(19)23(28-30)14(3)31;1-13(12-30)28(10-18(31)26-9-14-5-4-7-16(23)20(14)24)19(32)11-29-17-8-3-2-6-15(17)21(27-29)22(25)33/h4-6,8-13,16,20H,7,14-15,17-19H2,1-3H3,(H,39,48)(H,40,46);4-14,19H,15-18H2,1-3H3,(H,34,40)(H,35,42);2,4-6,9,12,14,21H,3,7-8,10-11,13,15-17H2,1H3,(H,35,41)(H,36,43);4,6-9,12,17H,5,10-11,13-16H2,1-3H3,(H,34,41)(H,35,43);4-11,15H,12-14H2,1-3H3,(H2,31,41)(H,33,39)(H,35,42);3-11,13,16H,12,14-15H2,1-2H3,(H2,31,41)(H,33,39)(H2,34,35,42);3-6,9-10,12-13,19H,7-8,11,14-15H2,1-2H3,(H2,31,41)(H,32,39);3-8,10-11,14-15H,9,12-13H2,1-2H3,(H2,30,41)(H,33,39)(H2,34,35,42);3-7,12,16H,8-11,13-15H2,1-2H3,(H2,30,39)(H,31,37)(H,32,40);4-9,13H,10-12H2,1-3H3,(H,27,32)(H,34,35);2-8,13,30H,9-12H2,1H3,(H2,25,33)(H,26,31)/t;;;;;;;;;;13-/m..........1/s1
InChIKeyFWNMGECCZJZCSI-SICYGIJMSA-N
XLogP40.51
TPSA1500.58 Ų
H-Bond Donors29
H-Bond Acceptors73
Rotatable Bonds105
Heavy Atoms452
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006446.33
LogP ≤ 540.51
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1073

Analyze 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-6-yl]-3,3-difluoropiperidine-1-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidine-2-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-6-yl]-3,3-difluoropiperidine-1-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidine-2-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide?
The IUPAC name of 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-6-yl]-3,3-difluoropiperidine-1-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidine-2-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide (CID 158163247) is 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-6-yl]-3,3-difluoropiperidine-1-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidine-2-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide.
What is the SMILES notation for 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-6-yl]-3,3-difluoropiperidine-1-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidine-2-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide?
The canonical SMILES for 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-6-yl]-3,3-difluoropiperidine-1-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidine-2-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide is CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(NC(=O)N3CCCC(F)(F)C3)ccc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)NCc3ccccc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)O)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(C)C)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)N3CCOCC3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)Nc3cccnc3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)Nc3cncnc3)ccc21.CN(C)c1ncc(-c2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)cn1.C[C@H](CO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.Cc1ccnc(C(=O)Nc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)n1.
What is the InChIKey of 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-6-yl]-3,3-difluoropiperidine-1-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidine-2-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide?
The InChIKey is FWNMGECCZJZCSI-SICYGIJMSA-N. The full InChI is InChI=1S/C34H34ClF3N6O4.C31H31ClFN5O4.C30H31ClF3N5O4.C29H32ClF3N6O4.2C28H28ClFN8O4.C28H28ClFN8O3.C27H27ClFN9O4.C27H31ClFN7O5.C24H24ClFN4O5.C22H23ClFN5O4/c1-20(2)43(17-29(46)40-27-11-6-9-24(31(27)36)23-8-4-5-10-26(23)35)30(47)18-44-28-13-12-22(16-25(28)32(41-44)21(3)45)39-33(48)42-15-7-14-34(37,38)19-42;1-19(2)37(17-27(40)34-16-23-10-7-11-25(32)29(23)33)28(41)18-38-26-13-12-22(14-24(26)30(36-38)20(3)39)31(42)35-15-21-8-5-4-6-9-21;1-18(40)23-14-38(25-12-20(6-9-22(23)25)36-29(43)37-11-3-10-30(33,34)17-37)16-27(42)39(21-7-8-21)15-26(41)35-13-19-4-2-5-24(31)28(19)32;1-17(2)38(14-24(41)34-13-19-6-4-7-22(30)26(19)31)25(42)15-39-23-9-8-20(12-21(23)27(36-39)18(3)40)35-28(43)37-11-5-10-29(32,33)16-37;1-15(2)37(13-22(39)33-12-17-5-4-6-20(29)24(17)30)23(40)14-38-21-8-7-18(11-19(21)25(36-38)26(31)41)35-28(42)27-32-10-9-16(3)34-27;1-16(2)37(14-23(39)33-12-17-5-3-7-21(29)25(17)30)24(40)15-38-22-9-8-18(11-20(22)26(36-38)27(31)41)34-28(42)35-19-6-4-10-32-13-19;1-36(2)28-33-12-18(13-34-28)16-6-9-22-20(10-16)26(27(31)41)35-38(22)15-24(40)37(19-7-8-19)14-23(39)32-11-17-4-3-5-21(29)25(17)30;1-15(2)37(12-22(39)33-9-16-4-3-5-20(28)24(16)29)23(40)13-38-21-7-6-17(8-19(21)25(36-38)26(30)41)34-27(42)35-18-10-31-14-32-11-18;1-16(2)35(14-22(37)31-13-17-4-3-5-20(28)24(17)29)23(38)15-36-21-7-6-18(12-19(21)25(33-36)26(30)39)32-27(40)34-8-10-41-11-9-34;1-13(2)29(11-20(32)27-10-16-5-4-6-18(25)22(16)26)21(33)12-30-19-8-7-15(24(34)35)9-17(19)23(28-30)14(3)31;1-13(12-30)28(10-18(31)26-9-14-5-4-7-16(23)20(14)24)19(32)11-29-17-8-3-2-6-15(17)21(27-29)22(25)33/h4-6,8-13,16,20H,7,14-15,17-19H2,1-3H3,(H,39,48)(H,40,46);4-14,19H,15-18H2,1-3H3,(H,34,40)(H,35,42);2,4-6,9,12,14,21H,3,7-8,10-11,13,15-17H2,1H3,(H,35,41)(H,36,43);4,6-9,12,17H,5,10-11,13-16H2,1-3H3,(H,34,41)(H,35,43);4-11,15H,12-14H2,1-3H3,(H2,31,41)(H,33,39)(H,35,42);3-11,13,16H,12,14-15H2,1-2H3,(H2,31,41)(H,33,39)(H2,34,35,42);3-6,9-10,12-13,19H,7-8,11,14-15H2,1-2H3,(H2,31,41)(H,32,39);3-8,10-11,14-15H,9,12-13H2,1-2H3,(H2,30,41)(H,33,39)(H2,34,35,42);3-7,12,16H,8-11,13-15H2,1-2H3,(H2,30,39)(H,31,37)(H,32,40);4-9,13H,10-12H2,1-3H3,(H,27,32)(H,34,35);2-8,13,30H,9-12H2,1H3,(H2,25,33)(H,26,31)/t;;;;;;;;;;13-/m..........1/s1.
What are the key properties of 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-6-yl]-3,3-difluoropiperidine-1-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidine-2-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide?
3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-6-yl]-3,3-difluoropiperidine-1-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidine-2-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide has a molecular weight of 6446.33 g/mol, XLogP of 40.51, 105 rotatable bonds, 29 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-6-yl]-3,3-difluoropiperidine-1-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidine-2-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide is sourced from PubChem (CID 158163247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).