5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;6-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-isocyanoindazole-3-carboxamide

C115H118BrCl5F4N32O18 — CID 157130504

IUPAC5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;6-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-isocyanoindazole-3-carboxamide
SMILESC[C@H](CO)N(CC(=O)N[C@@H](CCN(C)C)c1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(N)ccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(N)C2)c2ccc([N+](=O)[O-])cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(Cl)ccc12.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(Br)n2)C2CC(N)C2)c2ccccc12.[C-]#[N+]c1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1
InChIInChI=1S/C26H33ClFN7O4.C23H23ClFN7O5.C23H20ClFN6O3.C22H20Cl2FN5O3.C21H22BrN7O3/c1-15(14-36)34(23(38)13-35-21-8-7-16(29)11-18(21)25(32-35)26(30)39)12-22(37)31-20(9-10-33(2)3)17-5-4-6-19(27)24(17)28;24-17-3-1-2-12(21(17)25)9-28-19(33)10-30(15-6-13(26)7-15)20(34)11-31-18-5-4-14(32(36)37)8-16(18)22(29-31)23(27)35;1-27-14-5-8-16-18(9-14)31(29-22(16)23(26)34)12-20(33)30(15-6-7-15)11-19(32)28-10-13-3-2-4-17(24)21(13)25;23-13-4-7-15-17(8-13)30(28-21(15)22(26)33)11-19(32)29(14-5-6-14)10-18(31)27-9-12-2-1-3-16(24)20(12)25;22-16-6-3-7-17(25-16)26-18(30)10-28(13-8-12(23)9-13)19(31)11-29-15-5-2-1-4-14(15)20(27-29)21(24)32/h4-8,11,15,20,36H,9-10,12-14,29H2,1-3H3,(H2,30,39)(H,31,37);1-5,8,13,15H,6-7,9-11,26H2,(H2,27,35)(H,28,33);2-5,8-9,15H,6-7,10-12H2,(H2,26,34)(H,28,32);1-4,7-8,14H,5-6,9-11H2,(H2,26,33)(H,27,31);1-7,12-13H,8-11,23H2,(H2,24,32)(H,25,26,30)/t15-,20+;;;;/m1..../s1
InChIKeyAIZYCHUHRGERDN-DLSADIQGSA-N
MW2569.58 g/mol
LogP9.92
Rot. Bonds44

About 5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;6-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-isocyanoindazole-3-carboxamide

5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;6-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-isocyanoindazole-3-carboxamide (PubChem CID 157130504) has the molecular formula C115H118BrCl5F4N32O18 and a molecular weight of 2569.58 g/mol. Its IUPAC name is 5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;6-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-isocyanoindazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;6-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-isocyanoindazole-3-carboxamide
PubChem CID157130504
Molecular FormulaC115H118BrCl5F4N32O18
Molecular Weight2569.58 g/mol
Exact Mass2564.69
IUPAC Name5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;6-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-isocyanoindazole-3-carboxamide
SMILESC[C@H](CO)N(CC(=O)N[C@@H](CCN(C)C)c1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(N)ccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(N)C2)c2ccc([N+](=O)[O-])cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(Cl)ccc12.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(Br)n2)C2CC(N)C2)c2ccccc12.[C-]#[N+]c1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1
InChIInChI=1S/C26H33ClFN7O4.C23H23ClFN7O5.C23H20ClFN6O3.C22H20Cl2FN5O3.C21H22BrN7O3/c1-15(14-36)34(23(38)13-35-21-8-7-16(29)11-18(21)25(32-35)26(30)39)12-22(37)31-20(9-10-33(2)3)17-5-4-6-19(27)24(17)28;24-17-3-1-2-12(21(17)25)9-28-19(33)10-30(15-6-13(26)7-15)20(34)11-31-18-5-4-14(32(36)37)8-16(18)22(29-31)23(27)35;1-27-14-5-8-16-18(9-14)31(29-22(16)23(26)34)12-20(33)30(15-6-7-15)11-19(32)28-10-13-3-2-4-17(24)21(13)25;23-13-4-7-15-17(8-13)30(28-21(15)22(26)33)11-19(32)29(14-5-6-14)10-18(31)27-9-12-2-1-3-16(24)20(12)25;22-16-6-3-7-17(25-16)26-18(30)10-28(13-8-12(23)9-13)19(31)11-29-15-5-2-1-4-14(15)20(27-29)21(24)32/h4-8,11,15,20,36H,9-10,12-14,29H2,1-3H3,(H2,30,39)(H,31,37);1-5,8,13,15H,6-7,9-11,26H2,(H2,27,35)(H,28,33);2-5,8-9,15H,6-7,10-12H2,(H2,26,34)(H,28,32);1-4,7-8,14H,5-6,9-11H2,(H2,26,33)(H,27,31);1-7,12-13H,8-11,23H2,(H2,24,32)(H,25,26,30)/t15-,20+;;;;/m1..../s1
InChIKeyAIZYCHUHRGERDN-DLSADIQGSA-N
XLogP9.92
TPSA713.52 Ų
H-Bond Donors14
H-Bond Acceptors33
Rotatable Bonds44
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002569.58
LogP ≤ 59.92
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;6-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-isocyanoindazole-3-carboxamide with MolForge

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Related Compounds

1-[2-[[3-[(6-Bromo-2-pyridinyl)amino]-3-oxopropyl]-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]-(3-fluoropropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide
CID 157076704
5-amino-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-fluoroindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-cyano-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 157367967
CID 157558869
CID 157558869
CID 158146334
CID 158146334
1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-hydroxy-3-oxopentan-2-yl]amino]-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]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide
CID 159940903
CID 160409488
CID 160409488

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;6-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-isocyanoindazole-3-carboxamide?
The IUPAC name of 5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;6-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-isocyanoindazole-3-carboxamide (CID 157130504) is 5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;6-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-isocyanoindazole-3-carboxamide.
What is the SMILES notation for 5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;6-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-isocyanoindazole-3-carboxamide?
The canonical SMILES for 5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;6-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-isocyanoindazole-3-carboxamide is C[C@H](CO)N(CC(=O)N[C@@H](CCN(C)C)c1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(N)ccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(N)C2)c2ccc([N+](=O)[O-])cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(Cl)ccc12.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(Br)n2)C2CC(N)C2)c2ccccc12.[C-]#[N+]c1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1.
What is the InChIKey of 5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;6-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-isocyanoindazole-3-carboxamide?
The InChIKey is AIZYCHUHRGERDN-DLSADIQGSA-N. The full InChI is InChI=1S/C26H33ClFN7O4.C23H23ClFN7O5.C23H20ClFN6O3.C22H20Cl2FN5O3.C21H22BrN7O3/c1-15(14-36)34(23(38)13-35-21-8-7-16(29)11-18(21)25(32-35)26(30)39)12-22(37)31-20(9-10-33(2)3)17-5-4-6-19(27)24(17)28;24-17-3-1-2-12(21(17)25)9-28-19(33)10-30(15-6-13(26)7-15)20(34)11-31-18-5-4-14(32(36)37)8-16(18)22(29-31)23(27)35;1-27-14-5-8-16-18(9-14)31(29-22(16)23(26)34)12-20(33)30(15-6-7-15)11-19(32)28-10-13-3-2-4-17(24)21(13)25;23-13-4-7-15-17(8-13)30(28-21(15)22(26)33)11-19(32)29(14-5-6-14)10-18(31)27-9-12-2-1-3-16(24)20(12)25;22-16-6-3-7-17(25-16)26-18(30)10-28(13-8-12(23)9-13)19(31)11-29-15-5-2-1-4-14(15)20(27-29)21(24)32/h4-8,11,15,20,36H,9-10,12-14,29H2,1-3H3,(H2,30,39)(H,31,37);1-5,8,13,15H,6-7,9-11,26H2,(H2,27,35)(H,28,33);2-5,8-9,15H,6-7,10-12H2,(H2,26,34)(H,28,32);1-4,7-8,14H,5-6,9-11H2,(H2,26,33)(H,27,31);1-7,12-13H,8-11,23H2,(H2,24,32)(H,25,26,30)/t15-,20+;;;;/m1..../s1.
What are the key properties of 5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;6-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-isocyanoindazole-3-carboxamide?
5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;6-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-isocyanoindazole-3-carboxamide has a molecular weight of 2569.58 g/mol, XLogP of 9.92, 44 rotatable bonds, 14 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;6-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-isocyanoindazole-3-carboxamide is sourced from PubChem (CID 157130504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).