C390H387BrCl14F18N72O56 — CID 158178038
3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-5-carboxamide;2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(cyclopropylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-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-propan-2-ylacetamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formamidoindole-5-carboxamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(2-oxoethyl)indole-6-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-hydroxyacetyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-hydroxyoxetan-3-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3,3-difluoropiperidine-1-carbonyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-2-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-3-ylmethyl)indazole-3,5-dicarboxamide (PubChem CID 158178038) has the molecular formula C390H387BrCl14F18N72O56 and a molecular weight of 7897.04 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]indole-5-carboxamide;2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(cyclopropylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-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-propan-2-ylacetamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formamidoindole-5-carboxamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(2-oxoethyl)indole-6-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-hydroxyacetyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-hydroxyoxetan-3-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3,3-difluoropiperidine-1-carbonyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-2-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-3-ylmethyl)indazole-3,5-dicarboxamide.
| Compound Name | 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-5-carboxamide;2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(cyclopropylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-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-propan-2-ylacetamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formamidoindole-5-carboxamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(2-oxoethyl)indole-6-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-hydroxyacetyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-hydroxyoxetan-3-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3,3-difluoropiperidine-1-carbonyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-2-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-3-ylmethyl)indazole-3,5-dicarboxamide |
|---|---|
| PubChem CID | 158178038 |
| Molecular Formula | C390H387BrCl14F18N72O56 |
| Molecular Weight | 7897.04 g/mol |
| Exact Mass | 7884.42 |
| IUPAC Name | 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-5-carboxamide;2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(cyclopropylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-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-propan-2-ylacetamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formamidoindole-5-carboxamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(2-oxoethyl)indole-6-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-hydroxyacetyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-hydroxyoxetan-3-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3,3-difluoropiperidine-1-carbonyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-2-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-3-ylmethyl)indazole-3,5-dicarboxamide |
| SMILES | CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)NCC3CC3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)NCc3ccccc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(Br)ccc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)N3CCCC(F)(F)C3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(-c3cnc(N(C)C)nc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(-c3cncnc3)cc12.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)N3CCCC(F)(F)C3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)NCc3ccccn3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)NCc3cccnc3)ccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)CO)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)O)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)CC2(O)COC2)c2ccccc12.O=CCc1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(C(=O)NCc3ccccc3)ccc12.O=CNc1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)NCc3ccccc3)cc12 |
| InChI | InChI=1S/C32H30ClFN4O4.C32H32ClFN4O4.C31H29ClFN5O4.C30H30ClF3N4O4.2C29H29ClFN7O4.C29H31ClFN7O3.C29H32ClFN4O4.C28H30ClF3N6O4.C27H26ClFN6O3.C24H22BrClFN3O3.C24H23ClFN5O5.C23H23ClFN5O5.C23H21ClFN5O5/c33-27-8-4-7-23(31(27)34)17-35-29(40)19-38(25-10-11-25)30(41)20-37-18-24(13-14-39)26-12-9-22(15-28(26)37)32(42)36-16-21-5-2-1-3-6-21;1-20(2)38(18-29(40)35-16-24-10-7-11-27(33)31(24)34)30(41)19-37-17-26(21(3)39)25-14-23(12-13-28(25)37)32(42)36-15-22-8-5-4-6-9-22;32-25-8-4-7-22(30(25)33)15-34-28(40)17-38(23-10-11-23)29(41)18-37-16-26(36-19-39)24-13-21(9-12-27(24)37)31(42)35-14-20-5-2-1-3-6-20;1-18(39)23-14-37(25-9-6-19(12-22(23)25)29(42)36-11-3-10-30(33,34)17-36)16-27(41)38(21-7-8-21)15-26(40)35-13-20-4-2-5-24(31)28(20)32;1-17(2)37(15-24(39)34-14-20-6-3-7-22(30)26(20)31)25(40)16-38-23-9-8-19(11-21(23)27(36-38)28(32)41)29(42)35-13-18-5-4-10-33-12-18;1-17(2)37(15-24(39)34-13-19-6-5-8-22(30)26(19)31)25(40)16-38-23-10-9-18(12-21(23)27(36-38)28(32)41)29(42)35-14-20-7-3-4-11-33-20;1-17(2)37(15-25(40)32-12-20-7-6-8-23(30)27(20)31)26(41)16-38-24-10-9-19(11-22(24)28(35-38)18(3)39)21-13-33-29(34-14-21)36(4)5;1-17(2)35(15-26(37)32-13-21-5-4-6-24(30)28(21)31)27(38)16-34-14-23(18(3)36)22-11-20(9-10-25(22)34)29(39)33-12-19-7-8-19;1-16(2)37(13-22(39)34-12-18-5-3-6-20(29)24(18)30)23(40)14-38-21-8-7-17(11-19(21)25(35-38)26(33)41)27(42)36-10-4-9-28(31,32)15-36;1-16(2)34(13-24(37)32-12-19-5-4-6-22(28)26(19)29)25(38)14-35-23-8-7-18(20-10-30-15-31-11-20)9-21(23)27(33-35)17(3)36;1-14(31)19-11-29(21-9-16(25)5-8-18(19)21)13-23(33)30(17-6-7-17)12-22(32)28-10-15-3-2-4-20(26)24(15)27;25-17-3-1-2-14(22(17)26)9-28-20(34)10-30(15-5-6-15)21(35)11-31-18-7-4-13(19(33)12-32)8-16(18)23(29-31)24(27)36;24-16-6-3-4-14(20(16)25)8-27-18(31)9-29(11-23(34)12-35-13-23)19(32)10-30-17-7-2-1-5-15(17)21(28-30)22(26)33;24-16-3-1-2-13(20(16)25)9-27-18(31)10-29(14-5-6-14)19(32)11-30-17-7-4-12(23(34)35)8-15(17)21(28-30)22(26)33/h1-9,12,14-15,18,25H,10-11,13,16-17,19-20H2,(H,35,40)(H,36,42);4-14,17,20H,15-16,18-19H2,1-3H3,(H,35,40)(H,36,42);1-9,12-13,16,19,23H,10-11,14-15,17-18H2,(H,34,40)(H,35,42)(H,36,39);2,4-6,9,12,14,21H,3,7-8,10-11,13,15-17H2,1H3,(H,35,40);2*3-12,17H,13-16H2,1-2H3,(H2,32,41)(H,34,39)(H,35,42);6-11,13-14,17H,12,15-16H2,1-5H3,(H,32,40);4-6,9-11,14,17,19H,7-8,12-13,15-16H2,1-3H3,(H,32,37)(H,33,39);3,5-8,11,16H,4,9-10,12-15H2,1-2H3,(H2,33,41)(H,34,39);4-11,15-16H,12-14H2,1-3H3,(H,32,37);2-5,8-9,11,17H,6-7,10,12-13H2,1H3,(H,28,32);1-4,7-8,15,32H,5-6,9-12H2,(H2,27,36)(H,28,34);1-7,34H,8-13H2,(H2,26,33)(H,27,31);1-4,7-8,14H,5-6,9-11H2,(H2,26,33)(H,27,31)(H,34,35) |
| InChIKey | FYFUVSYTWYHGFM-UHFFFAOYSA-N |
| XLogP | 48.91 |
| TPSA | 1670.87 Ų |
| H-Bond Donors | 30 |
| H-Bond Acceptors | 84 |
| Rotatable Bonds | 141 |
| Heavy Atoms | 551 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 7897.04 |
| LogP ≤ 5 | 48.91 |
| H-Bond Donors ≤ 5 | 30 |
| H-Bond Acceptors ≤ 10 | 84 |