2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;bis(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;1-[2-[(3-aminocyclobutyl)-[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-N-phenylindazole-3,5-dicarboxamide

C204H211BrCl8F8N38O28 — CID 159965870

IUPAC2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;bis(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;1-[2-[(3-aminocyclobutyl)-[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-N-phenylindazole-3,5-dicarboxamide
SMILESCC(=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)C(C)C)c2ccccc12.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.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(N)C2)c2ccccc12
InChIInChI=1S/C30H30ClFN6O4.C29H28ClFN6O4.C28H32ClFN6O5.C24H24BrClFN3O3.C24H25ClFN3O3.C23H24ClFN6O3.2C23H24ClFN4O3/c1-18(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(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;1-14(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;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;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;2*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/h3-13,18H,14-17H2,1-2H3,(H2,33,41)(H,34,39)(H,35,42);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);4-6,8,10-11,14H,7,9,12-13H2,1-3H3;4-10,13,15H,11-12,14H2,1-3H3,(H,27,31);1-7,14-15H,8-12,26H2,(H2,27,34)(H,28,32);2*4-10,14H,11-13H2,1-3H3,(H,26,31)
InChIKeyODXOXYORKAJUBJ-UHFFFAOYSA-N
MW4158.68 g/mol
LogP28.43
Rot. Bonds70

About 2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;bis(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;1-[2-[(3-aminocyclobutyl)-[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-N-phenylindazole-3,5-dicarboxamide

2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;bis(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;1-[2-[(3-aminocyclobutyl)-[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-N-phenylindazole-3,5-dicarboxamide (PubChem CID 159965870) has the molecular formula C204H211BrCl8F8N38O28 and a molecular weight of 4158.68 g/mol. Its IUPAC name is 2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;bis(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;1-[2-[(3-aminocyclobutyl)-[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-N-phenylindazole-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;bis(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;1-[2-[(3-aminocyclobutyl)-[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-N-phenylindazole-3,5-dicarboxamide
PubChem CID159965870
Molecular FormulaC204H211BrCl8F8N38O28
Molecular Weight4158.68 g/mol
Exact Mass4151.28
IUPAC Name2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;bis(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;1-[2-[(3-aminocyclobutyl)-[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-N-phenylindazole-3,5-dicarboxamide
SMILESCC(=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)C(C)C)c2ccccc12.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.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(N)C2)c2ccccc12
InChIInChI=1S/C30H30ClFN6O4.C29H28ClFN6O4.C28H32ClFN6O5.C24H24BrClFN3O3.C24H25ClFN3O3.C23H24ClFN6O3.2C23H24ClFN4O3/c1-18(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(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;1-14(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;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;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;2*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/h3-13,18H,14-17H2,1-2H3,(H2,33,41)(H,34,39)(H,35,42);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);4-6,8,10-11,14H,7,9,12-13H2,1-3H3;4-10,13,15H,11-12,14H2,1-3H3,(H,27,31);1-7,14-15H,8-12,26H2,(H2,27,34)(H,28,32);2*4-10,14H,11-13H2,1-3H3,(H,26,31)
InChIKeyODXOXYORKAJUBJ-UHFFFAOYSA-N
XLogP28.43
TPSA876.11 Ų
H-Bond Donors15
H-Bond Acceptors44
Rotatable Bonds70
Heavy Atoms287
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004158.68
LogP ≤ 528.43
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1044

Analyze 2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;bis(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;1-[2-[(3-aminocyclobutyl)-[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-N-phenylindazole-3,5-dicarboxamide with MolForge

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Related Compounds

5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methyloxetan-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-(2-oxo-3-phenylpropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-phenylindazole-3,5-dicarboxamide;methyl 3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylate
CID 157211259
2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-phenylethynyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 4-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclohexane-1-carboxylate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclohexylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-piperidin-3-ylamino]-2-oxoethyl]indazole-3-carboxamide
CID 157294352
5-bromo-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-bromo-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclohexyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 157394513
2-(3-acetyl-5-bromoindazol-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-(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-acetyl-5-pyrimidin-5-ylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide
CID 157496420
1-[2-[[2-[(6-Bromo-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide
CID 157573851
5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;4-fluoro-5-methyl-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 157719782
CID 158173828
CID 158173828
CID 158346709
CID 158346709
tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(1H-pyrazol-4-yl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride
CID 158350477
CID 158997656
CID 158997656
tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(1H-pyrazol-4-yl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;deuteriomethane;hypofluorous acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride
CID 159071020
tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(6-fluoro-3-pyridinyl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(6-fluoro-3-pyridinyl)boronic acid;hydrochloride
CID 159411601

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;bis(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;1-[2-[(3-aminocyclobutyl)-[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-N-phenylindazole-3,5-dicarboxamide?
The IUPAC name of 2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;bis(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;1-[2-[(3-aminocyclobutyl)-[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-N-phenylindazole-3,5-dicarboxamide (CID 159965870) is 2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;bis(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;1-[2-[(3-aminocyclobutyl)-[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-N-phenylindazole-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;bis(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;1-[2-[(3-aminocyclobutyl)-[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-N-phenylindazole-3,5-dicarboxamide?
The canonical SMILES for 2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;bis(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;1-[2-[(3-aminocyclobutyl)-[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-N-phenylindazole-3,5-dicarboxamide is 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)C(C)C)c2ccccc12.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.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(N)C2)c2ccccc12.
What is the InChIKey of 2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;bis(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;1-[2-[(3-aminocyclobutyl)-[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-N-phenylindazole-3,5-dicarboxamide?
The InChIKey is ODXOXYORKAJUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClFN6O4.C29H28ClFN6O4.C28H32ClFN6O5.C24H24BrClFN3O3.C24H25ClFN3O3.C23H24ClFN6O3.2C23H24ClFN4O3/c1-18(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(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;1-14(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;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;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;2*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/h3-13,18H,14-17H2,1-2H3,(H2,33,41)(H,34,39)(H,35,42);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);4-6,8,10-11,14H,7,9,12-13H2,1-3H3;4-10,13,15H,11-12,14H2,1-3H3,(H,27,31);1-7,14-15H,8-12,26H2,(H2,27,34)(H,28,32);2*4-10,14H,11-13H2,1-3H3,(H,26,31).
What are the key properties of 2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;bis(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;1-[2-[(3-aminocyclobutyl)-[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-N-phenylindazole-3,5-dicarboxamide?
2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;bis(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;1-[2-[(3-aminocyclobutyl)-[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-N-phenylindazole-3,5-dicarboxamide has a molecular weight of 4158.68 g/mol, XLogP of 28.43, 70 rotatable bonds, 15 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-5-bromoindazol-1-yl)-N-[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-N-propan-2-ylacetamide;bis(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;1-[2-[(3-aminocyclobutyl)-[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-N-phenylindazole-3,5-dicarboxamide is sourced from PubChem (CID 159965870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).