2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(1-acetylindol-3-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-pyrimidin-5-ylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3,5-dicarboxamide;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-phenylindazole-3,5-dicarboxamide

C367H374Br2Cl14F14N70O48 — CID 158173828

IUPAC2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(1-acetylindol-3-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-pyrimidin-5-ylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3,5-dicarboxamide;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-phenylindazole-3,5-dicarboxamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)NCc3cccnc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc12.CC(=O)c1nn(CC(=O)N(CC(=O)CCc2cccc(Cl)c2F)C(C)C)c2ccc(Br)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(-c3cnc(N(C)C)nc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(-c3cncnc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(Br)cc12.CC(=O)n1cc(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc21.CC(C)(C)OC(=O)NC1CC(N(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(N)=O)c3ccccc32)C1.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)NCc3ccccc3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)Nc3ccccc3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(CC(=O)CC3CC3)ccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(N)C2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)CC2CC(N)C2)c2ccccc12
InChIInChI=1S/C31H31ClFN5O4.C30H30ClFN6O4.C29H29ClFN7O3.C29H28ClFN6O4.C28H32ClFN6O5.C28H31ClFN5O4.C27H24ClFN6O3.C24H24BrClFN3O3.C24H26ClFN6O3.2C24H25ClFN3O3.C23H21BrClFN4O3.C23H24ClFN6O3.C23H24ClFN4O3/c1-19(2)38(17-28(40)35-15-23-7-4-8-26(32)30(23)33)29(41)18-37-16-25(20(3)39)24-12-22(9-10-27(24)37)31(42)36-14-21-6-5-11-34-13-21;1-18(2)37(16-25(39)34-15-21-9-6-10-23(31)27(21)32)26(40)17-38-24-12-11-20(13-22(24)28(36-38)29(33)41)30(42)35-14-19-7-4-3-5-8-19;1-17(39)28-22-11-18(20-13-33-29(34-14-20)36(2)3)7-10-24(22)38(35-28)16-26(41)37(21-8-9-21)15-25(40)32-12-19-5-4-6-23(30)27(19)31;1-17(2)36(15-24(38)33-14-19-7-6-10-22(30)26(19)31)25(39)16-37-23-12-11-18(13-21(23)27(35-37)28(32)40)29(41)34-20-8-4-3-5-9-20;1-28(2,3)41-27(40)33-17-11-18(12-17)35(14-22(37)32-13-16-7-6-9-20(29)24(16)30)23(38)15-36-21-10-5-4-8-19(21)25(34-36)26(31)39;1-16(2)34(14-24(37)32-13-19-4-3-5-22(29)26(19)30)25(38)15-35-23-9-8-18(11-20(36)10-17-6-7-17)12-21(23)27(33-35)28(31)39;1-16(36)27-21-9-17(19-10-30-15-31-11-19)5-8-23(21)35(33-27)14-25(38)34(20-6-7-20)13-24(37)32-12-18-3-2-4-22(28)26(18)29;1-14(2)29(12-18(32)9-7-16-5-4-6-20(26)23(16)27)22(33)13-30-21-10-8-17(25)11-19(21)24(28-30)15(3)31;25-18-6-3-4-15(22(18)26)10-29-20(33)12-31(11-14-8-16(27)9-14)21(34)13-32-19-7-2-1-5-17(19)23(30-32)24(28)35;1-15(2)28(14-22(31)27-12-17-7-6-9-20(25)24(17)26)23(32)11-18-13-29(16(3)30)21-10-5-4-8-19(18)21;1-15(2)29(13-22(31)27-11-17-7-6-9-20(25)24(17)26)23(32)14-28-12-19(16(3)30)18-8-4-5-10-21(18)28;1-13(31)23-17-9-15(24)5-8-19(17)30(28-23)12-21(33)29(16-6-7-16)11-20(32)27-10-14-3-2-4-18(25)22(14)26;24-17-6-3-4-13(21(17)25)10-28-19(32)11-30(15-8-14(26)9-15)20(33)12-31-18-7-2-1-5-16(18)22(29-31)23(27)34;1-14(2)28(12-20(31)26-11-16-7-6-9-18(24)22(16)25)21(32)13-29-19-10-5-4-8-17(19)23(27-29)15(3)30/h4-13,16,19H,14-15,17-18H2,1-3H3,(H,35,40)(H,36,42);3-13,18H,14-17H2,1-2H3,(H2,33,41)(H,34,39)(H,35,42);4-7,10-11,13-14,21H,8-9,12,15-16H2,1-3H3,(H,32,40);3-13,17H,14-16H2,1-2H3,(H2,32,40)(H,33,38)(H,34,41);4-10,17-18H,11-15H2,1-3H3,(H2,31,39)(H,32,37)(H,33,40);3-5,8-9,12,16-17H,6-7,10-11,13-15H2,1-2H3,(H2,31,39)(H,32,37);2-5,8-11,15,20H,6-7,12-14H2,1H3,(H,32,37);4-6,8,10-11,14H,7,9,12-13H2,1-3H3;1-7,14,16H,8-13,27H2,(H2,28,35)(H,29,33);4-10,13,15H,11-12,14H2,1-3H3,(H,27,31);4-10,12,15H,11,13-14H2,1-3H3,(H,27,31);2-5,8-9,16H,6-7,10-12H2,1H3,(H,27,32);1-7,14-15H,8-12,26H2,(H2,27,34)(H,28,32);4-10,14H,11-13H2,1-3H3,(H,26,31)
InChIKeyFXTPUWONNKQSRV-UHFFFAOYSA-N
MW7455.59 g/mol
LogP50.51
Rot. Bonds129

About 2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(1-acetylindol-3-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-pyrimidin-5-ylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3,5-dicarboxamide;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-phenylindazole-3,5-dicarboxamide

2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(1-acetylindol-3-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-pyrimidin-5-ylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3,5-dicarboxamide;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-phenylindazole-3,5-dicarboxamide (PubChem CID 158173828) has the molecular formula C367H374Br2Cl14F14N70O48 and a molecular weight of 7455.59 g/mol. Its IUPAC name is 2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(1-acetylindol-3-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-pyrimidin-5-ylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3,5-dicarboxamide;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-phenylindazole-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(1-acetylindol-3-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-pyrimidin-5-ylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3,5-dicarboxamide;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-phenylindazole-3,5-dicarboxamide
PubChem CID158173828
Molecular FormulaC367H374Br2Cl14F14N70O48
Molecular Weight7455.59 g/mol
Exact Mass7442.28
IUPAC Name2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(1-acetylindol-3-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-pyrimidin-5-ylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3,5-dicarboxamide;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-phenylindazole-3,5-dicarboxamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)NCc3cccnc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc12.CC(=O)c1nn(CC(=O)N(CC(=O)CCc2cccc(Cl)c2F)C(C)C)c2ccc(Br)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(-c3cnc(N(C)C)nc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(-c3cncnc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(Br)cc12.CC(=O)n1cc(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc21.CC(C)(C)OC(=O)NC1CC(N(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(N)=O)c3ccccc32)C1.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)NCc3ccccc3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)Nc3ccccc3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(CC(=O)CC3CC3)ccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(N)C2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)CC2CC(N)C2)c2ccccc12
InChIInChI=1S/C31H31ClFN5O4.C30H30ClFN6O4.C29H29ClFN7O3.C29H28ClFN6O4.C28H32ClFN6O5.C28H31ClFN5O4.C27H24ClFN6O3.C24H24BrClFN3O3.C24H26ClFN6O3.2C24H25ClFN3O3.C23H21BrClFN4O3.C23H24ClFN6O3.C23H24ClFN4O3/c1-19(2)38(17-28(40)35-15-23-7-4-8-26(32)30(23)33)29(41)18-37-16-25(20(3)39)24-12-22(9-10-27(24)37)31(42)36-14-21-6-5-11-34-13-21;1-18(2)37(16-25(39)34-15-21-9-6-10-23(31)27(21)32)26(40)17-38-24-12-11-20(13-22(24)28(36-38)29(33)41)30(42)35-14-19-7-4-3-5-8-19;1-17(39)28-22-11-18(20-13-33-29(34-14-20)36(2)3)7-10-24(22)38(35-28)16-26(41)37(21-8-9-21)15-25(40)32-12-19-5-4-6-23(30)27(19)31;1-17(2)36(15-24(38)33-14-19-7-6-10-22(30)26(19)31)25(39)16-37-23-12-11-18(13-21(23)27(35-37)28(32)40)29(41)34-20-8-4-3-5-9-20;1-28(2,3)41-27(40)33-17-11-18(12-17)35(14-22(37)32-13-16-7-6-9-20(29)24(16)30)23(38)15-36-21-10-5-4-8-19(21)25(34-36)26(31)39;1-16(2)34(14-24(37)32-13-19-4-3-5-22(29)26(19)30)25(38)15-35-23-9-8-18(11-20(36)10-17-6-7-17)12-21(23)27(33-35)28(31)39;1-16(36)27-21-9-17(19-10-30-15-31-11-19)5-8-23(21)35(33-27)14-25(38)34(20-6-7-20)13-24(37)32-12-18-3-2-4-22(28)26(18)29;1-14(2)29(12-18(32)9-7-16-5-4-6-20(26)23(16)27)22(33)13-30-21-10-8-17(25)11-19(21)24(28-30)15(3)31;25-18-6-3-4-15(22(18)26)10-29-20(33)12-31(11-14-8-16(27)9-14)21(34)13-32-19-7-2-1-5-17(19)23(30-32)24(28)35;1-15(2)28(14-22(31)27-12-17-7-6-9-20(25)24(17)26)23(32)11-18-13-29(16(3)30)21-10-5-4-8-19(18)21;1-15(2)29(13-22(31)27-11-17-7-6-9-20(25)24(17)26)23(32)14-28-12-19(16(3)30)18-8-4-5-10-21(18)28;1-13(31)23-17-9-15(24)5-8-19(17)30(28-23)12-21(33)29(16-6-7-16)11-20(32)27-10-14-3-2-4-18(25)22(14)26;24-17-6-3-4-13(21(17)25)10-28-19(32)11-30(15-8-14(26)9-15)20(33)12-31-18-7-2-1-5-16(18)22(29-31)23(27)34;1-14(2)28(12-20(31)26-11-16-7-6-9-18(24)22(16)25)21(32)13-29-19-10-5-4-8-17(19)23(27-29)15(3)30/h4-13,16,19H,14-15,17-18H2,1-3H3,(H,35,40)(H,36,42);3-13,18H,14-17H2,1-2H3,(H2,33,41)(H,34,39)(H,35,42);4-7,10-11,13-14,21H,8-9,12,15-16H2,1-3H3,(H,32,40);3-13,17H,14-16H2,1-2H3,(H2,32,40)(H,33,38)(H,34,41);4-10,17-18H,11-15H2,1-3H3,(H2,31,39)(H,32,37)(H,33,40);3-5,8-9,12,16-17H,6-7,10-11,13-15H2,1-2H3,(H2,31,39)(H,32,37);2-5,8-11,15,20H,6-7,12-14H2,1H3,(H,32,37);4-6,8,10-11,14H,7,9,12-13H2,1-3H3;1-7,14,16H,8-13,27H2,(H2,28,35)(H,29,33);4-10,13,15H,11-12,14H2,1-3H3,(H,27,31);4-10,12,15H,11,13-14H2,1-3H3,(H,27,31);2-5,8-9,16H,6-7,10-12H2,1H3,(H,27,32);1-7,14-15H,8-12,26H2,(H2,27,34)(H,28,32);4-10,14H,11-13H2,1-3H3,(H,26,31)
InChIKeyFXTPUWONNKQSRV-UHFFFAOYSA-N
XLogP50.51
TPSA1548.05 Ų
H-Bond Donors25
H-Bond Acceptors81
Rotatable Bonds129
Heavy Atoms515
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007455.59
LogP ≤ 550.51
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1081

Analyze 2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(1-acetylindol-3-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-pyrimidin-5-ylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3,5-dicarboxamide;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-phenylindazole-3,5-dicarboxamide with MolForge

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What is the IUPAC name of 2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(1-acetylindol-3-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-pyrimidin-5-ylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3,5-dicarboxamide;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-phenylindazole-3,5-dicarboxamide?
The IUPAC name of 2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(1-acetylindol-3-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-pyrimidin-5-ylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3,5-dicarboxamide;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-phenylindazole-3,5-dicarboxamide (CID 158173828) is 2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(1-acetylindol-3-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-pyrimidin-5-ylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3,5-dicarboxamide;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-phenylindazole-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(1-acetylindol-3-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-pyrimidin-5-ylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3,5-dicarboxamide;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-phenylindazole-3,5-dicarboxamide?
The canonical SMILES for 2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(1-acetylindol-3-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-pyrimidin-5-ylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3,5-dicarboxamide;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-phenylindazole-3,5-dicarboxamide is CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)NCc3cccnc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc12.CC(=O)c1nn(CC(=O)N(CC(=O)CCc2cccc(Cl)c2F)C(C)C)c2ccc(Br)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(-c3cnc(N(C)C)nc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(-c3cncnc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(Br)cc12.CC(=O)n1cc(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc21.CC(C)(C)OC(=O)NC1CC(N(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(N)=O)c3ccccc32)C1.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)NCc3ccccc3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)Nc3ccccc3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(CC(=O)CC3CC3)ccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(N)C2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)CC2CC(N)C2)c2ccccc12.
What is the InChIKey of 2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(1-acetylindol-3-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-pyrimidin-5-ylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3,5-dicarboxamide;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-phenylindazole-3,5-dicarboxamide?
The InChIKey is FXTPUWONNKQSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31ClFN5O4.C30H30ClFN6O4.C29H29ClFN7O3.C29H28ClFN6O4.C28H32ClFN6O5.C28H31ClFN5O4.C27H24ClFN6O3.C24H24BrClFN3O3.C24H26ClFN6O3.2C24H25ClFN3O3.C23H21BrClFN4O3.C23H24ClFN6O3.C23H24ClFN4O3/c1-19(2)38(17-28(40)35-15-23-7-4-8-26(32)30(23)33)29(41)18-37-16-25(20(3)39)24-12-22(9-10-27(24)37)31(42)36-14-21-6-5-11-34-13-21;1-18(2)37(16-25(39)34-15-21-9-6-10-23(31)27(21)32)26(40)17-38-24-12-11-20(13-22(24)28(36-38)29(33)41)30(42)35-14-19-7-4-3-5-8-19;1-17(39)28-22-11-18(20-13-33-29(34-14-20)36(2)3)7-10-24(22)38(35-28)16-26(41)37(21-8-9-21)15-25(40)32-12-19-5-4-6-23(30)27(19)31;1-17(2)36(15-24(38)33-14-19-7-6-10-22(30)26(19)31)25(39)16-37-23-12-11-18(13-21(23)27(35-37)28(32)40)29(41)34-20-8-4-3-5-9-20;1-28(2,3)41-27(40)33-17-11-18(12-17)35(14-22(37)32-13-16-7-6-9-20(29)24(16)30)23(38)15-36-21-10-5-4-8-19(21)25(34-36)26(31)39;1-16(2)34(14-24(37)32-13-19-4-3-5-22(29)26(19)30)25(38)15-35-23-9-8-18(11-20(36)10-17-6-7-17)12-21(23)27(33-35)28(31)39;1-16(36)27-21-9-17(19-10-30-15-31-11-19)5-8-23(21)35(33-27)14-25(38)34(20-6-7-20)13-24(37)32-12-18-3-2-4-22(28)26(18)29;1-14(2)29(12-18(32)9-7-16-5-4-6-20(26)23(16)27)22(33)13-30-21-10-8-17(25)11-19(21)24(28-30)15(3)31;25-18-6-3-4-15(22(18)26)10-29-20(33)12-31(11-14-8-16(27)9-14)21(34)13-32-19-7-2-1-5-17(19)23(30-32)24(28)35;1-15(2)28(14-22(31)27-12-17-7-6-9-20(25)24(17)26)23(32)11-18-13-29(16(3)30)21-10-5-4-8-19(18)21;1-15(2)29(13-22(31)27-11-17-7-6-9-20(25)24(17)26)23(32)14-28-12-19(16(3)30)18-8-4-5-10-21(18)28;1-13(31)23-17-9-15(24)5-8-19(17)30(28-23)12-21(33)29(16-6-7-16)11-20(32)27-10-14-3-2-4-18(25)22(14)26;24-17-6-3-4-13(21(17)25)10-28-19(32)11-30(15-8-14(26)9-15)20(33)12-31-18-7-2-1-5-16(18)22(29-31)23(27)34;1-14(2)28(12-20(31)26-11-16-7-6-9-18(24)22(16)25)21(32)13-29-19-10-5-4-8-17(19)23(27-29)15(3)30/h4-13,16,19H,14-15,17-18H2,1-3H3,(H,35,40)(H,36,42);3-13,18H,14-17H2,1-2H3,(H2,33,41)(H,34,39)(H,35,42);4-7,10-11,13-14,21H,8-9,12,15-16H2,1-3H3,(H,32,40);3-13,17H,14-16H2,1-2H3,(H2,32,40)(H,33,38)(H,34,41);4-10,17-18H,11-15H2,1-3H3,(H2,31,39)(H,32,37)(H,33,40);3-5,8-9,12,16-17H,6-7,10-11,13-15H2,1-2H3,(H2,31,39)(H,32,37);2-5,8-11,15,20H,6-7,12-14H2,1H3,(H,32,37);4-6,8,10-11,14H,7,9,12-13H2,1-3H3;1-7,14,16H,8-13,27H2,(H2,28,35)(H,29,33);4-10,13,15H,11-12,14H2,1-3H3,(H,27,31);4-10,12,15H,11,13-14H2,1-3H3,(H,27,31);2-5,8-9,16H,6-7,10-12H2,1H3,(H,27,32);1-7,14-15H,8-12,26H2,(H2,27,34)(H,28,32);4-10,14H,11-13H2,1-3H3,(H,26,31).
What are the key properties of 2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(1-acetylindol-3-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-pyrimidin-5-ylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3,5-dicarboxamide;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-phenylindazole-3,5-dicarboxamide?
2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(1-acetylindol-3-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-pyrimidin-5-ylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3,5-dicarboxamide;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-phenylindazole-3,5-dicarboxamide has a molecular weight of 7455.59 g/mol, XLogP of 50.51, 129 rotatable bonds, 25 hydrogen bond donors, and 81 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(1-acetylindol-3-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-pyrimidin-5-ylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3,5-dicarboxamide;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-phenylindazole-3,5-dicarboxamide is sourced from PubChem (CID 158173828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).