5-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;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]-5-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-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-isocyanoindazole-3-carboxamide;1-[2-[[2-[(3-cyano-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[2-fluoro-3-(2-methylphenyl)anilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide

C195H194BrCl5F8N44O32 — CID 158146334

IUPAC5-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;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]-5-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-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-isocyanoindazole-3-carboxamide;1-[2-[[2-[(3-cyano-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[2-fluoro-3-(2-methylphenyl)anilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(=O)c1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1.C[C@H](CO)N(CC(=O)NCc1cccc(C#N)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.C[C@H](CO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(CC(=O)CC3CC3)ccc21.C[C@H](CO)N(CC(=O)Nc1cccc(-c2ccccc2Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(N)ccc21.C[C@H](CO)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.Cc1ccccc1-c1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)[C@H](C)CO)c1F.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(F)cc12.[C-]#[N+]c1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)[C@H](C)CO
InChIInChI=1S/C28H31ClFN5O5.C28H28FN5O4.C27H26ClFN6O4.C24H23ClFN5O4.C23H22ClFN6O4.C23H23FN6O4.C22H20ClF2N5O3.C20H21BrN6O4/c1-16(15-36)34(13-24(38)32-12-19-3-2-4-22(29)26(19)30)25(39)14-35-23-8-7-18(10-20(37)9-17-5-6-17)11-21(23)27(33-35)28(31)40;1-17-8-3-4-9-19(17)20-11-7-12-22(26(20)29)31-24(36)14-33(18(2)16-35)25(37)15-34-23-13-6-5-10-21(23)27(32-34)28(30)38;1-15(14-36)34(24(38)13-35-22-10-9-16(30)11-19(22)26(33-35)27(31)39)12-23(37)32-21-8-4-6-18(25(21)29)17-5-2-3-7-20(17)28;1-13(32)14-5-8-19-17(9-14)23(24(27)35)29-31(19)12-21(34)30(16-6-7-16)11-20(33)28-10-15-3-2-4-18(25)22(15)26;1-13(12-32)30(10-19(33)28-9-14-4-3-5-17(24)21(14)25)20(34)11-31-18-7-6-15(27-2)8-16(18)22(29-31)23(26)35;1-14(13-31)29(11-19(32)27-10-16-6-4-5-15(9-25)21(16)24)20(33)12-30-18-8-3-2-7-17(18)22(28-30)23(26)34;23-16-3-1-2-12(20(16)25)9-27-18(31)10-29(14-5-6-14)19(32)11-30-17-7-4-13(24)8-15(17)21(28-30)22(26)33;1-12(11-28)26(9-17(29)24-16-8-4-7-15(21)23-16)18(30)10-27-14-6-3-2-5-13(14)19(25-27)20(22)31/h2-4,7-8,11,16-17,36H,5-6,9-10,12-15H2,1H3,(H2,31,40)(H,32,38);3-13,18,35H,14-16H2,1-2H3,(H2,30,38)(H,31,36);2-11,15,36H,12-14,30H2,1H3,(H2,31,39)(H,32,37);2-5,8-9,16H,6-7,10-12H2,1H3,(H2,27,35)(H,28,33);3-8,13,32H,9-12H2,1H3,(H2,26,35)(H,28,33);2-8,14,31H,10-13H2,1H3,(H2,26,34)(H,27,32);1-4,7-8,14H,5-6,9-11H2,(H2,26,33)(H,27,31);2-8,12,28H,9-11H2,1H3,(H2,22,31)(H,23,24,29)/t16-;18-;15-;;13-;14-;;12-/m111.11.1/s1
InChIKeyFUOHMIAJLIBTAM-VBHYKOSLSA-N
MW4075.13 g/mol
LogP17.12
Rot. Bonds74

About 5-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;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]-5-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-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-isocyanoindazole-3-carboxamide;1-[2-[[2-[(3-cyano-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[2-fluoro-3-(2-methylphenyl)anilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide

5-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;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]-5-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-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-isocyanoindazole-3-carboxamide;1-[2-[[2-[(3-cyano-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[2-fluoro-3-(2-methylphenyl)anilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 158146334) has the molecular formula C195H194BrCl5F8N44O32 and a molecular weight of 4075.13 g/mol. Its IUPAC name is 5-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;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]-5-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-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-isocyanoindazole-3-carboxamide;1-[2-[[2-[(3-cyano-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[2-fluoro-3-(2-methylphenyl)anilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;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]-5-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-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-isocyanoindazole-3-carboxamide;1-[2-[[2-[(3-cyano-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[2-fluoro-3-(2-methylphenyl)anilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID158146334
Molecular FormulaC195H194BrCl5F8N44O32
Molecular Weight4075.13 g/mol
Exact Mass4069.24
IUPAC Name5-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;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]-5-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-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-isocyanoindazole-3-carboxamide;1-[2-[[2-[(3-cyano-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[2-fluoro-3-(2-methylphenyl)anilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(=O)c1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1.C[C@H](CO)N(CC(=O)NCc1cccc(C#N)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.C[C@H](CO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(CC(=O)CC3CC3)ccc21.C[C@H](CO)N(CC(=O)Nc1cccc(-c2ccccc2Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(N)ccc21.C[C@H](CO)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.Cc1ccccc1-c1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)[C@H](C)CO)c1F.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(F)cc12.[C-]#[N+]c1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)[C@H](C)CO
InChIInChI=1S/C28H31ClFN5O5.C28H28FN5O4.C27H26ClFN6O4.C24H23ClFN5O4.C23H22ClFN6O4.C23H23FN6O4.C22H20ClF2N5O3.C20H21BrN6O4/c1-16(15-36)34(13-24(38)32-12-19-3-2-4-22(29)26(19)30)25(39)14-35-23-8-7-18(10-20(37)9-17-5-6-17)11-21(23)27(33-35)28(31)40;1-17-8-3-4-9-19(17)20-11-7-12-22(26(20)29)31-24(36)14-33(18(2)16-35)25(37)15-34-23-13-6-5-10-21(23)27(32-34)28(30)38;1-15(14-36)34(24(38)13-35-22-10-9-16(30)11-19(22)26(33-35)27(31)39)12-23(37)32-21-8-4-6-18(25(21)29)17-5-2-3-7-20(17)28;1-13(32)14-5-8-19-17(9-14)23(24(27)35)29-31(19)12-21(34)30(16-6-7-16)11-20(33)28-10-15-3-2-4-18(25)22(15)26;1-13(12-32)30(10-19(33)28-9-14-4-3-5-17(24)21(14)25)20(34)11-31-18-7-6-15(27-2)8-16(18)22(29-31)23(26)35;1-14(13-31)29(11-19(32)27-10-16-6-4-5-15(9-25)21(16)24)20(33)12-30-18-8-3-2-7-17(18)22(28-30)23(26)34;23-16-3-1-2-12(20(16)25)9-27-18(31)10-29(14-5-6-14)19(32)11-30-17-7-4-13(24)8-15(17)21(28-30)22(26)33;1-12(11-28)26(9-17(29)24-16-8-4-7-15(21)23-16)18(30)10-27-14-6-3-2-5-13(14)19(25-27)20(22)31/h2-4,7-8,11,16-17,36H,5-6,9-10,12-15H2,1H3,(H2,31,40)(H,32,38);3-13,18,35H,14-16H2,1-2H3,(H2,30,38)(H,31,36);2-11,15,36H,12-14,30H2,1H3,(H2,31,39)(H,32,37);2-5,8-9,16H,6-7,10-12H2,1H3,(H2,27,35)(H,28,33);3-8,13,32H,9-12H2,1H3,(H2,26,35)(H,28,33);2-8,14,31H,10-13H2,1H3,(H2,26,34)(H,27,32);1-4,7-8,14H,5-6,9-11H2,(H2,26,33)(H,27,31);2-8,12,28H,9-11H2,1H3,(H2,22,31)(H,23,24,29)/t16-;18-;15-;;13-;14-;;12-/m111.11.1/s1
InChIKeyFUOHMIAJLIBTAM-VBHYKOSLSA-N
XLogP17.12
TPSA1105.14 Ų
H-Bond Donors23
H-Bond Acceptors51
Rotatable Bonds74
Heavy Atoms285
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004075.13
LogP ≤ 517.12
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1051

Analyze 5-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;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]-5-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-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-isocyanoindazole-3-carboxamide;1-[2-[[2-[(3-cyano-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[2-fluoro-3-(2-methylphenyl)anilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;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]-5-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-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-isocyanoindazole-3-carboxamide;1-[2-[[2-[(3-cyano-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[2-fluoro-3-(2-methylphenyl)anilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 5-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;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]-5-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-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-isocyanoindazole-3-carboxamide;1-[2-[[2-[(3-cyano-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[2-fluoro-3-(2-methylphenyl)anilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide (CID 158146334) is 5-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;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]-5-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-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-isocyanoindazole-3-carboxamide;1-[2-[[2-[(3-cyano-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[2-fluoro-3-(2-methylphenyl)anilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 5-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;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]-5-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-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-isocyanoindazole-3-carboxamide;1-[2-[[2-[(3-cyano-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[2-fluoro-3-(2-methylphenyl)anilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 5-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;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]-5-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-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-isocyanoindazole-3-carboxamide;1-[2-[[2-[(3-cyano-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[2-fluoro-3-(2-methylphenyl)anilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide is CC(=O)c1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1.C[C@H](CO)N(CC(=O)NCc1cccc(C#N)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.C[C@H](CO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(CC(=O)CC3CC3)ccc21.C[C@H](CO)N(CC(=O)Nc1cccc(-c2ccccc2Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(N)ccc21.C[C@H](CO)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.Cc1ccccc1-c1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)[C@H](C)CO)c1F.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(F)cc12.[C-]#[N+]c1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)[C@H](C)CO.
What is the InChIKey of 5-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;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]-5-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-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-isocyanoindazole-3-carboxamide;1-[2-[[2-[(3-cyano-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[2-fluoro-3-(2-methylphenyl)anilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is FUOHMIAJLIBTAM-VBHYKOSLSA-N. The full InChI is InChI=1S/C28H31ClFN5O5.C28H28FN5O4.C27H26ClFN6O4.C24H23ClFN5O4.C23H22ClFN6O4.C23H23FN6O4.C22H20ClF2N5O3.C20H21BrN6O4/c1-16(15-36)34(13-24(38)32-12-19-3-2-4-22(29)26(19)30)25(39)14-35-23-8-7-18(10-20(37)9-17-5-6-17)11-21(23)27(33-35)28(31)40;1-17-8-3-4-9-19(17)20-11-7-12-22(26(20)29)31-24(36)14-33(18(2)16-35)25(37)15-34-23-13-6-5-10-21(23)27(32-34)28(30)38;1-15(14-36)34(24(38)13-35-22-10-9-16(30)11-19(22)26(33-35)27(31)39)12-23(37)32-21-8-4-6-18(25(21)29)17-5-2-3-7-20(17)28;1-13(32)14-5-8-19-17(9-14)23(24(27)35)29-31(19)12-21(34)30(16-6-7-16)11-20(33)28-10-15-3-2-4-18(25)22(15)26;1-13(12-32)30(10-19(33)28-9-14-4-3-5-17(24)21(14)25)20(34)11-31-18-7-6-15(27-2)8-16(18)22(29-31)23(26)35;1-14(13-31)29(11-19(32)27-10-16-6-4-5-15(9-25)21(16)24)20(33)12-30-18-8-3-2-7-17(18)22(28-30)23(26)34;23-16-3-1-2-12(20(16)25)9-27-18(31)10-29(14-5-6-14)19(32)11-30-17-7-4-13(24)8-15(17)21(28-30)22(26)33;1-12(11-28)26(9-17(29)24-16-8-4-7-15(21)23-16)18(30)10-27-14-6-3-2-5-13(14)19(25-27)20(22)31/h2-4,7-8,11,16-17,36H,5-6,9-10,12-15H2,1H3,(H2,31,40)(H,32,38);3-13,18,35H,14-16H2,1-2H3,(H2,30,38)(H,31,36);2-11,15,36H,12-14,30H2,1H3,(H2,31,39)(H,32,37);2-5,8-9,16H,6-7,10-12H2,1H3,(H2,27,35)(H,28,33);3-8,13,32H,9-12H2,1H3,(H2,26,35)(H,28,33);2-8,14,31H,10-13H2,1H3,(H2,26,34)(H,27,32);1-4,7-8,14H,5-6,9-11H2,(H2,26,33)(H,27,31);2-8,12,28H,9-11H2,1H3,(H2,22,31)(H,23,24,29)/t16-;18-;15-;;13-;14-;;12-/m111.11.1/s1.
What are the key properties of 5-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;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]-5-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-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-isocyanoindazole-3-carboxamide;1-[2-[[2-[(3-cyano-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[2-fluoro-3-(2-methylphenyl)anilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide?
5-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;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]-5-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-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-isocyanoindazole-3-carboxamide;1-[2-[[2-[(3-cyano-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[2-fluoro-3-(2-methylphenyl)anilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 4075.13 g/mol, XLogP of 17.12, 74 rotatable bonds, 23 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;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]-5-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-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-isocyanoindazole-3-carboxamide;1-[2-[[2-[(3-cyano-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[2-fluoro-3-(2-methylphenyl)anilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 158146334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).