2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;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;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]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]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]-piperidin-3-ylamino]-2-oxoethyl]indazole-3-carboxamide

C196H201Br3Cl7F7N36O26 — CID 160555935

IUPAC2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;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;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]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]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]-piperidin-3-ylamino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C#Cc3ccccc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(Br)n2)C(C)C)c2ccc(Br)cc12.C[C@H](CCO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.C[C@H](CO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCNC2)c2ccccc12
InChIInChI=1S/C32H29ClFN3O3.C25H27ClFN5O3.C24H24BrClFN3O3.C24H26ClFN6O3.C24H25ClFN5O3.C23H25ClFN5O4.C22H22Br2N4O3.C22H23ClFN5O4/c1-21(2)37(19-30(39)35-17-25-10-7-11-28(33)32(25)34)31(40)20-36-18-27(22(3)38)26-16-24(14-15-29(26)36)13-12-23-8-5-4-6-9-23;26-19-11-6-7-16(23(19)27)13-29-21(33)14-31(17-8-2-1-3-9-17)22(34)15-32-20-12-5-4-10-18(20)24(30-32)25(28)35;1-14(2)30(12-22(32)28-10-16-5-4-6-20(26)24(16)27)23(33)13-29-11-19(15(3)31)18-9-17(25)7-8-21(18)29;25-18-8-3-5-15(22(18)26)11-29-20(33)13-31(16-6-4-10-28-12-16)21(34)14-32-19-9-2-1-7-17(19)23(30-32)24(27)35;25-18-10-5-6-15(22(18)26)12-28-20(32)13-30(16-7-1-2-8-16)21(33)14-31-19-11-4-3-9-17(19)23(29-31)24(27)34;1-14(9-10-31)29(12-19(32)27-11-15-5-4-7-17(24)21(15)25)20(33)13-30-18-8-3-2-6-16(18)22(28-30)23(26)34;1-13(2)28(11-21(30)26-20-6-4-5-19(24)25-20)22(31)12-27-10-17(14(3)29)16-9-15(23)7-8-18(16)27;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/h4-11,14-16,18,21H,17,19-20H2,1-3H3,(H,35,39);4-7,10-12,17H,1-3,8-9,13-15H2,(H2,28,35)(H,29,33);4-9,11,14H,10,12-13H2,1-3H3,(H,28,32);1-3,5,7-9,16,28H,4,6,10-14H2,(H2,27,35)(H,29,33);3-6,9-11,16H,1-2,7-8,12-14H2,(H2,27,34)(H,28,32);2-8,14,31H,9-13H2,1H3,(H2,26,34)(H,27,32);4-10,13H,11-12H2,1-3H3,(H,25,26,30);2-8,13,30H,9-12H2,1H3,(H2,25,33)(H,26,31)/t;;;;;14-;;13-/m.....1.1/s1
InChIKeyQYRJXKHXPJXMHN-GLLVKBIRSA-N
MW4097.86 g/mol
LogP26.72
Rot. Bonds66

About 2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;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;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]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]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]-piperidin-3-ylamino]-2-oxoethyl]indazole-3-carboxamide

2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;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;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]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]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]-piperidin-3-ylamino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 160555935) has the molecular formula C196H201Br3Cl7F7N36O26 and a molecular weight of 4097.86 g/mol. Its IUPAC name is 2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;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;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]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]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]-piperidin-3-ylamino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;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;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]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]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]-piperidin-3-ylamino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID160555935
Molecular FormulaC196H201Br3Cl7F7N36O26
Molecular Weight4097.86 g/mol
Exact Mass4089.08
IUPAC Name2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;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;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]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]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]-piperidin-3-ylamino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C#Cc3ccccc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(Br)n2)C(C)C)c2ccc(Br)cc12.C[C@H](CCO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.C[C@H](CO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCNC2)c2ccccc12
InChIInChI=1S/C32H29ClFN3O3.C25H27ClFN5O3.C24H24BrClFN3O3.C24H26ClFN6O3.C24H25ClFN5O3.C23H25ClFN5O4.C22H22Br2N4O3.C22H23ClFN5O4/c1-21(2)37(19-30(39)35-17-25-10-7-11-28(33)32(25)34)31(40)20-36-18-27(22(3)38)26-16-24(14-15-29(26)36)13-12-23-8-5-4-6-9-23;26-19-11-6-7-16(23(19)27)13-29-21(33)14-31(17-8-2-1-3-9-17)22(34)15-32-20-12-5-4-10-18(20)24(30-32)25(28)35;1-14(2)30(12-22(32)28-10-16-5-4-6-20(26)24(16)27)23(33)13-29-11-19(15(3)31)18-9-17(25)7-8-21(18)29;25-18-8-3-5-15(22(18)26)11-29-20(33)13-31(16-6-4-10-28-12-16)21(34)14-32-19-9-2-1-7-17(19)23(30-32)24(27)35;25-18-10-5-6-15(22(18)26)12-28-20(32)13-30(16-7-1-2-8-16)21(33)14-31-19-11-4-3-9-17(19)23(29-31)24(27)34;1-14(9-10-31)29(12-19(32)27-11-15-5-4-7-17(24)21(15)25)20(33)13-30-18-8-3-2-6-16(18)22(28-30)23(26)34;1-13(2)28(11-21(30)26-20-6-4-5-19(24)25-20)22(31)12-27-10-17(14(3)29)16-9-15(23)7-8-18(16)27;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/h4-11,14-16,18,21H,17,19-20H2,1-3H3,(H,35,39);4-7,10-12,17H,1-3,8-9,13-15H2,(H2,28,35)(H,29,33);4-9,11,14H,10,12-13H2,1-3H3,(H,28,32);1-3,5,7-9,16,28H,4,6,10-14H2,(H2,27,35)(H,29,33);3-6,9-11,16H,1-2,7-8,12-14H2,(H2,27,34)(H,28,32);2-8,14,31H,9-13H2,1H3,(H2,26,34)(H,27,32);4-10,13H,11-12H2,1-3H3,(H,25,26,30);2-8,13,30H,9-12H2,1H3,(H2,25,33)(H,26,31)/t;;;;;14-;;13-/m.....1.1/s1
InChIKeyQYRJXKHXPJXMHN-GLLVKBIRSA-N
XLogP26.72
TPSA831.21 Ų
H-Bond Donors16
H-Bond Acceptors41
Rotatable Bonds66
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004097.86
LogP ≤ 526.72
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;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;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]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]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]-piperidin-3-ylamino]-2-oxoethyl]indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;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;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]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]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]-piperidin-3-ylamino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;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;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]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]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]-piperidin-3-ylamino]-2-oxoethyl]indazole-3-carboxamide (CID 160555935) is 2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;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;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]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]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]-piperidin-3-ylamino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;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;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]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]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]-piperidin-3-ylamino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;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;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]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]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]-piperidin-3-ylamino]-2-oxoethyl]indazole-3-carboxamide is CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C#Cc3ccccc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(Br)n2)C(C)C)c2ccc(Br)cc12.C[C@H](CCO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.C[C@H](CO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCNC2)c2ccccc12.
What is the InChIKey of 2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;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;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]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]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]-piperidin-3-ylamino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is QYRJXKHXPJXMHN-GLLVKBIRSA-N. The full InChI is InChI=1S/C32H29ClFN3O3.C25H27ClFN5O3.C24H24BrClFN3O3.C24H26ClFN6O3.C24H25ClFN5O3.C23H25ClFN5O4.C22H22Br2N4O3.C22H23ClFN5O4/c1-21(2)37(19-30(39)35-17-25-10-7-11-28(33)32(25)34)31(40)20-36-18-27(22(3)38)26-16-24(14-15-29(26)36)13-12-23-8-5-4-6-9-23;26-19-11-6-7-16(23(19)27)13-29-21(33)14-31(17-8-2-1-3-9-17)22(34)15-32-20-12-5-4-10-18(20)24(30-32)25(28)35;1-14(2)30(12-22(32)28-10-16-5-4-6-20(26)24(16)27)23(33)13-29-11-19(15(3)31)18-9-17(25)7-8-21(18)29;25-18-8-3-5-15(22(18)26)11-29-20(33)13-31(16-6-4-10-28-12-16)21(34)14-32-19-9-2-1-7-17(19)23(30-32)24(27)35;25-18-10-5-6-15(22(18)26)12-28-20(32)13-30(16-7-1-2-8-16)21(33)14-31-19-11-4-3-9-17(19)23(29-31)24(27)34;1-14(9-10-31)29(12-19(32)27-11-15-5-4-7-17(24)21(15)25)20(33)13-30-18-8-3-2-6-16(18)22(28-30)23(26)34;1-13(2)28(11-21(30)26-20-6-4-5-19(24)25-20)22(31)12-27-10-17(14(3)29)16-9-15(23)7-8-18(16)27;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/h4-11,14-16,18,21H,17,19-20H2,1-3H3,(H,35,39);4-7,10-12,17H,1-3,8-9,13-15H2,(H2,28,35)(H,29,33);4-9,11,14H,10,12-13H2,1-3H3,(H,28,32);1-3,5,7-9,16,28H,4,6,10-14H2,(H2,27,35)(H,29,33);3-6,9-11,16H,1-2,7-8,12-14H2,(H2,27,34)(H,28,32);2-8,14,31H,9-13H2,1H3,(H2,26,34)(H,27,32);4-10,13H,11-12H2,1-3H3,(H,25,26,30);2-8,13,30H,9-12H2,1H3,(H2,25,33)(H,26,31)/t;;;;;14-;;13-/m.....1.1/s1.
What are the key properties of 2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;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;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]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]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]-piperidin-3-ylamino]-2-oxoethyl]indazole-3-carboxamide?
2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;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;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]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]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]-piperidin-3-ylamino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 4097.86 g/mol, XLogP of 26.72, 66 rotatable bonds, 16 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;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;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]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]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]-piperidin-3-ylamino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 160555935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).