C299H298Cl11F15N58O43 — CID 158663701
3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(1-phenylethyl)indazole-5-carboxamide;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;bis(2-(1-acetylindol-3-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide);2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxycyclohexyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide (PubChem CID 158663701) has the molecular formula C299H298Cl11F15N58O43 and a molecular weight of 6066.99 g/mol. Its IUPAC name is 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(1-phenylethyl)indazole-5-carboxamide;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;bis(2-(1-acetylindol-3-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide);2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxycyclohexyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide.
| Compound Name | 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(1-phenylethyl)indazole-5-carboxamide;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;bis(2-(1-acetylindol-3-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide);2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxycyclohexyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide |
|---|---|
| PubChem CID | 158663701 |
| Molecular Formula | C299H298Cl11F15N58O43 |
| Molecular Weight | 6066.99 g/mol |
| Exact Mass | 6057.92 |
| IUPAC Name | 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(1-phenylethyl)indazole-5-carboxamide;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;bis(2-(1-acetylindol-3-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide);2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-hydroxycyclohexyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide |
| SMILES | CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C#Cc3ncccn3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)NC(C)c3ccccc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)CO)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)O)cc12.CC(=O)n1cc(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc21.CC(=O)n1cc(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)NCc3ccncc3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(Oc3ncccn3)ccc21.CC(C)N(CC(=O)Nc1cccc(-c2ccccc2Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)N3CCCC(F)(F)C3)ccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCC(O)CC2)c2ccccc12 |
| InChI | InChI=1S/C33H33ClF3N7O4.C32H33ClFN5O4.C29H29ClFN7O4.C29H26ClFN6O3.C28H29ClF3N7O4.C26H25ClFN7O4.C25H27ClFN5O4.C25H24ClFN4O5.C24H22ClFN4O5.2C24H25ClFN3O3/c1-19(2)43(16-27(45)40-25-10-5-8-22(29(25)35)21-7-3-4-9-24(21)34)28(46)17-44-26-12-11-20(15-23(26)30(41-44)31(38)47)39-32(48)42-14-6-13-33(36,37)18-42;1-19(2)38(17-28(41)35-16-24-11-8-12-26(33)30(24)34)29(42)18-39-27-14-13-23(15-25(27)31(37-39)21(4)40)32(43)36-20(3)22-9-6-5-7-10-22;1-17(2)37(15-24(39)34-14-20-4-3-5-22(30)26(20)31)25(40)16-38-23-7-6-19(12-21(23)27(36-38)28(32)41)29(42)35-13-18-8-10-33-11-9-18;1-18(2)36(16-26(39)34-15-21-6-4-7-23(30)28(21)31)27(40)17-37-24-10-8-20(9-11-25-32-12-5-13-33-25)14-22(24)29(35-37)19(3)38;29-20-4-1-3-16(24(20)30)12-34-22(40)13-38(18-6-7-18)23(41)14-39-21-8-5-17(11-19(21)25(36-39)26(33)42)35-27(43)37-10-2-9-28(31,32)15-37;1-15(2)34(13-21(36)32-12-16-5-3-6-19(27)23(16)28)22(37)14-35-20-8-7-17(39-26-30-9-4-10-31-26)11-18(20)24(33-35)25(29)38;26-19-6-3-4-15(23(19)27)12-29-21(34)13-31(16-8-10-17(33)11-9-16)22(35)14-32-20-7-2-1-5-18(20)24(30-32)25(28)36;1-14(33)25-18-9-15(21(34)13-32)5-8-20(18)31(29-25)12-23(36)30(17-6-7-17)11-22(35)28-10-16-3-2-4-19(26)24(16)27;1-13(31)23-17-9-14(24(34)35)5-8-19(17)30(28-23)12-21(33)29(16-6-7-16)11-20(32)27-10-15-3-2-4-18(25)22(15)26;2*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/h3-5,7-12,15,19H,6,13-14,16-18H2,1-2H3,(H2,38,47)(H,39,48)(H,40,45);5-15,19-20H,16-18H2,1-4H3,(H,35,41)(H,36,43);3-12,17H,13-16H2,1-2H3,(H2,32,41)(H,34,39)(H,35,42);4-8,10,12-14,18H,15-17H2,1-3H3,(H,34,39);1,3-5,8,11,18H,2,6-7,9-10,12-15H2,(H2,33,42)(H,34,40)(H,35,43);3-11,15H,12-14H2,1-2H3,(H2,29,38)(H,32,36);1-7,16-17,33H,8-14H2,(H2,28,36)(H,29,34);2-5,8-9,17,32H,6-7,10-13H2,1H3,(H,28,35);2-5,8-9,16H,6-7,10-12H2,1H3,(H,27,32)(H,34,35);2*4-10,13,15H,11-12,14H2,1-3H3,(H,27,31) |
| InChIKey | IDBRWJVZVLXMHA-UHFFFAOYSA-N |
| XLogP | 40.26 |
| TPSA | 1323.01 Ų |
| H-Bond Donors | 23 |
| H-Bond Acceptors | 67 |
| Rotatable Bonds | 99 |
| Heavy Atoms | 426 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6066.99 |
| LogP ≤ 5 | 40.26 |
| H-Bond Donors ≤ 5 | 23 |
| H-Bond Acceptors ≤ 10 | 67 |