dipotassium;sodium;acetyl acetate;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formamidoindole-5-carboxamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-isocyanoindole-5-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(3-cyano-5-methylindol-1-yl)acetate;heptakis(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyanoindol-1-yl)acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyano-5-methylindol-1-yl)acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2-(3-cyano-5-methylindol-1-yl)acetic acid;hydride;5-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;5-methyl-1H-indole-3-carbonitrile;oxido formate;phenylmethanamine;hydroxide

C203H195BrCl5F5K2N29NaO40 — CID 157132363

IUPACdipotassium;sodium;acetyl acetate;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formamidoindole-5-carboxamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-isocyanoindole-5-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(3-cyano-5-methylindol-1-yl)acetate;heptakis(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyanoindol-1-yl)acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyano-5-methylindol-1-yl)acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2-(3-cyano-5-methylindol-1-yl)acetic acid;hydride;5-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;5-methyl-1H-indole-3-carbonitrile;oxido formate;phenylmethanamine;hydroxide
SMILESCC(=O)OC(C)=O.CC(C)(C)OC(=O)CBr.Cc1ccc2[nH]cc(C#N)c2c1.Cc1ccc2[nH]cc(C=O)c2c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(c1)c(C#N)cn2CC(=O)O.Cc1ccc2c(c1)c(C#N)cn2CC(=O)OC(C)(C)C.NCc1ccccc1.O=C(CNC1CC1)NCc1cccc(Cl)c1F.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=CNc1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)NCc3ccccc3)cc12.O=CO[O-].[C-]#[N+]c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)NCc3ccccc3)cc12.[C-]#[N+]c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C)cc12.[C-]#[N+]c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccccc12.[H-].[K+].[K+].[Na+].[OH-]
InChIInChI=1S/C31H29ClFN5O4.C31H27ClFN5O3.C24H22ClFN4O2.C23H20ClFN4O2.C16H18N2O2.C12H14ClFN2O.C12H10N2O2.C10H8N2.C10H9NO.C9H9N.C7H9N.C6H11BrO2.C4H6O3.CH2O3.7CO2.2K.Na.H2O.H/c32-25-8-4-7-22(30(25)33)15-34-28(40)17-38(23-10-11-23)29(41)18-37-16-26(36-19-39)24-13-21(9-12-27(24)37)31(42)35-14-20-5-2-1-3-6-20;1-34-26-17-37(27-13-10-21(14-24(26)27)31(41)36-15-20-6-3-2-4-7-20)19-29(40)38(23-11-12-23)18-28(39)35-16-22-8-5-9-25(32)30(22)33;1-15-6-9-21-18(10-15)20(27-2)12-29(21)14-23(32)30(17-7-8-17)13-22(31)28-11-16-4-3-5-19(25)24(16)26;1-26-19-12-28(20-8-3-2-6-17(19)20)14-22(31)29(16-9-10-16)13-21(30)27-11-15-5-4-7-18(24)23(15)25;1-11-5-6-14-13(7-11)12(8-17)9-18(14)10-15(19)20-16(2,3)4;13-10-3-1-2-8(12(10)14)6-16-11(17)7-15-9-4-5-9;1-8-2-3-11-10(4-8)9(5-13)6-14(11)7-12(15)16;1-7-2-3-10-9(4-7)8(5-11)6-12-10;1-7-2-3-10-9(4-7)8(6-12)5-11-10;1-7-2-3-9-8(6-7)4-5-10-9;8-6-7-4-2-1-3-5-7;1-6(2,3)9-5(8)4-7;1-3(5)7-4(2)6;2-1-4-3;7*2-1-3;;;;;/h1-9,12-13,16,19,23H,10-11,14-15,17-18H2,(H,34,40)(H,35,42)(H,36,39);2-10,13-14,17,23H,11-12,15-16,18-19H2,(H,35,39)(H,36,41);3-6,9-10,12,17H,7-8,11,13-14H2,1H3,(H,28,31);2-8,12,16H,9-11,13-14H2,(H,27,30);5-7,9H,10H2,1-4H3;1-3,9,15H,4-7H2,(H,16,17);2-4,6H,7H2,1H3,(H,15,16);2-4,6,12H,1H3;2-6,11H,1H3;2-6,10H,1H3;1-5H,6,8H2;4H2,1-3H3;1-2H3;1,3H;;;;;;;;;;;1H2;/q;;;;;;;;;;;;;;;;;;;;;3*+1;;-1/p-2
InChIKeyAWASZZLAXLWTJK-UHFFFAOYSA-L
MW4134.30 g/mol
LogP20.65
Rot. Bonds49

About dipotassium;sodium;acetyl acetate;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formamidoindole-5-carboxamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-isocyanoindole-5-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(3-cyano-5-methylindol-1-yl)acetate;heptakis(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyanoindol-1-yl)acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyano-5-methylindol-1-yl)acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2-(3-cyano-5-methylindol-1-yl)acetic acid;hydride;5-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;5-methyl-1H-indole-3-carbonitrile;oxido formate;phenylmethanamine;hydroxide

dipotassium;sodium;acetyl acetate;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formamidoindole-5-carboxamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-isocyanoindole-5-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(3-cyano-5-methylindol-1-yl)acetate;heptakis(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyanoindol-1-yl)acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyano-5-methylindol-1-yl)acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2-(3-cyano-5-methylindol-1-yl)acetic acid;hydride;5-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;5-methyl-1H-indole-3-carbonitrile;oxido formate;phenylmethanamine;hydroxide (PubChem CID 157132363) has the molecular formula C203H195BrCl5F5K2N29NaO40 and a molecular weight of 4134.30 g/mol. Its IUPAC name is dipotassium;sodium;acetyl acetate;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formamidoindole-5-carboxamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-isocyanoindole-5-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(3-cyano-5-methylindol-1-yl)acetate;heptakis(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyanoindol-1-yl)acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyano-5-methylindol-1-yl)acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2-(3-cyano-5-methylindol-1-yl)acetic acid;hydride;5-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;5-methyl-1H-indole-3-carbonitrile;oxido formate;phenylmethanamine;hydroxide.

Molecular Properties

Compound Namedipotassium;sodium;acetyl acetate;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formamidoindole-5-carboxamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-isocyanoindole-5-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(3-cyano-5-methylindol-1-yl)acetate;heptakis(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyanoindol-1-yl)acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyano-5-methylindol-1-yl)acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2-(3-cyano-5-methylindol-1-yl)acetic acid;hydride;5-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;5-methyl-1H-indole-3-carbonitrile;oxido formate;phenylmethanamine;hydroxide
PubChem CID157132363
Molecular FormulaC203H195BrCl5F5K2N29NaO40
Molecular Weight4134.30 g/mol
Exact Mass4128.08
IUPAC Namedipotassium;sodium;acetyl acetate;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formamidoindole-5-carboxamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-isocyanoindole-5-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(3-cyano-5-methylindol-1-yl)acetate;heptakis(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyanoindol-1-yl)acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyano-5-methylindol-1-yl)acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2-(3-cyano-5-methylindol-1-yl)acetic acid;hydride;5-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;5-methyl-1H-indole-3-carbonitrile;oxido formate;phenylmethanamine;hydroxide
SMILESCC(=O)OC(C)=O.CC(C)(C)OC(=O)CBr.Cc1ccc2[nH]cc(C#N)c2c1.Cc1ccc2[nH]cc(C=O)c2c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(c1)c(C#N)cn2CC(=O)O.Cc1ccc2c(c1)c(C#N)cn2CC(=O)OC(C)(C)C.NCc1ccccc1.O=C(CNC1CC1)NCc1cccc(Cl)c1F.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=CNc1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)NCc3ccccc3)cc12.O=CO[O-].[C-]#[N+]c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)NCc3ccccc3)cc12.[C-]#[N+]c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C)cc12.[C-]#[N+]c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccccc12.[H-].[K+].[K+].[Na+].[OH-]
InChIInChI=1S/C31H29ClFN5O4.C31H27ClFN5O3.C24H22ClFN4O2.C23H20ClFN4O2.C16H18N2O2.C12H14ClFN2O.C12H10N2O2.C10H8N2.C10H9NO.C9H9N.C7H9N.C6H11BrO2.C4H6O3.CH2O3.7CO2.2K.Na.H2O.H/c32-25-8-4-7-22(30(25)33)15-34-28(40)17-38(23-10-11-23)29(41)18-37-16-26(36-19-39)24-13-21(9-12-27(24)37)31(42)35-14-20-5-2-1-3-6-20;1-34-26-17-37(27-13-10-21(14-24(26)27)31(41)36-15-20-6-3-2-4-7-20)19-29(40)38(23-11-12-23)18-28(39)35-16-22-8-5-9-25(32)30(22)33;1-15-6-9-21-18(10-15)20(27-2)12-29(21)14-23(32)30(17-7-8-17)13-22(31)28-11-16-4-3-5-19(25)24(16)26;1-26-19-12-28(20-8-3-2-6-17(19)20)14-22(31)29(16-9-10-16)13-21(30)27-11-15-5-4-7-18(24)23(15)25;1-11-5-6-14-13(7-11)12(8-17)9-18(14)10-15(19)20-16(2,3)4;13-10-3-1-2-8(12(10)14)6-16-11(17)7-15-9-4-5-9;1-8-2-3-11-10(4-8)9(5-13)6-14(11)7-12(15)16;1-7-2-3-10-9(4-7)8(5-11)6-12-10;1-7-2-3-10-9(4-7)8(6-12)5-11-10;1-7-2-3-9-8(6-7)4-5-10-9;8-6-7-4-2-1-3-5-7;1-6(2,3)9-5(8)4-7;1-3(5)7-4(2)6;2-1-4-3;7*2-1-3;;;;;/h1-9,12-13,16,19,23H,10-11,14-15,17-18H2,(H,34,40)(H,35,42)(H,36,39);2-10,13-14,17,23H,11-12,15-16,18-19H2,(H,35,39)(H,36,41);3-6,9-10,12,17H,7-8,11,13-14H2,1H3,(H,28,31);2-8,12,16H,9-11,13-14H2,(H,27,30);5-7,9H,10H2,1-4H3;1-3,9,15H,4-7H2,(H,16,17);2-4,6H,7H2,1H3,(H,15,16);2-4,6,12H,1H3;2-6,11H,1H3;2-6,10H,1H3;1-5H,6,8H2;4H2,1-3H3;1-2H3;1,3H;;;;;;;;;;;1H2;/q;;;;;;;;;;;;;;;;;;;;;3*+1;;-1/p-2
InChIKeyAWASZZLAXLWTJK-UHFFFAOYSA-L
XLogP20.65
TPSA982.17 Ų
H-Bond Donors14
H-Bond Acceptors50
Rotatable Bonds49
Heavy Atoms286
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004134.30
LogP ≤ 520.65
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1050

Analyze dipotassium;sodium;acetyl acetate;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formamidoindole-5-carboxamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-isocyanoindole-5-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(3-cyano-5-methylindol-1-yl)acetate;heptakis(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyanoindol-1-yl)acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyano-5-methylindol-1-yl)acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2-(3-cyano-5-methylindol-1-yl)acetic acid;hydride;5-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;5-methyl-1H-indole-3-carbonitrile;oxido formate;phenylmethanamine;hydroxide with MolForge

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Related Compounds

dipotassium;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde;2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
CID 157629565
dipotassium;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;oxido formate;2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
CID 158313578
dipotassium;tert-butyl 2-bromoacetate;tert-butyl 2-(3-carbamoylindol-1-yl)acetate;2-(3-carbamoylindol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1H-indazole-3-carboxamide;methane;oxido formate;2,2,2-trifluoroacetaldehyde
CID 158354508
dipotassium;2-(3-acetyl-6-bromoindol-1-yl)acetic acid;2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;acetyl chloride;6-bromo-1H-indene;1-(6-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;hydride;methane;oxido formate;tetrachlorostannane;2,2,2-trifluoroacetaldehyde
CID 159023230
dipotassium;azane;2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1H-indole-3-carbonitrile;5-bromo-1H-indole-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-carbamoylindol-1-yl)acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;hydrogen peroxide;methane;oxido formate;2,2,2-trifluoroacetaldehyde;hydrate
CID 159910412
dipotassium;2-(3-acetyl-5-bromoindol-1-yl)acetic acid;2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde
CID 161053223
dipotassium;azane;2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;5-bromo-1H-indole-3-carbonitrile;5-bromo-1H-indole-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-carbamoylindol-1-yl)acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;hydrogen peroxide;oxido formate;hydrate
CID 159710980
dipotassium;tert-butyl 2-bromoacetate;tert-butyl 2-(3-carbamoylindol-1-yl)acetate;2-(3-carbamoylindol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1H-indole-3-carboxamide;oxido formate
CID 162074737

Frequently Asked Questions

What is the IUPAC name of dipotassium;sodium;acetyl acetate;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formamidoindole-5-carboxamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-isocyanoindole-5-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(3-cyano-5-methylindol-1-yl)acetate;heptakis(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyanoindol-1-yl)acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyano-5-methylindol-1-yl)acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2-(3-cyano-5-methylindol-1-yl)acetic acid;hydride;5-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;5-methyl-1H-indole-3-carbonitrile;oxido formate;phenylmethanamine;hydroxide?
The IUPAC name of dipotassium;sodium;acetyl acetate;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formamidoindole-5-carboxamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-isocyanoindole-5-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(3-cyano-5-methylindol-1-yl)acetate;heptakis(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyanoindol-1-yl)acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyano-5-methylindol-1-yl)acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2-(3-cyano-5-methylindol-1-yl)acetic acid;hydride;5-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;5-methyl-1H-indole-3-carbonitrile;oxido formate;phenylmethanamine;hydroxide (CID 157132363) is dipotassium;sodium;acetyl acetate;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formamidoindole-5-carboxamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-isocyanoindole-5-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(3-cyano-5-methylindol-1-yl)acetate;heptakis(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyanoindol-1-yl)acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyano-5-methylindol-1-yl)acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2-(3-cyano-5-methylindol-1-yl)acetic acid;hydride;5-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;5-methyl-1H-indole-3-carbonitrile;oxido formate;phenylmethanamine;hydroxide.
What is the SMILES notation for dipotassium;sodium;acetyl acetate;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formamidoindole-5-carboxamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-isocyanoindole-5-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(3-cyano-5-methylindol-1-yl)acetate;heptakis(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyanoindol-1-yl)acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyano-5-methylindol-1-yl)acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2-(3-cyano-5-methylindol-1-yl)acetic acid;hydride;5-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;5-methyl-1H-indole-3-carbonitrile;oxido formate;phenylmethanamine;hydroxide?
The canonical SMILES for dipotassium;sodium;acetyl acetate;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formamidoindole-5-carboxamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-isocyanoindole-5-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(3-cyano-5-methylindol-1-yl)acetate;heptakis(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyanoindol-1-yl)acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyano-5-methylindol-1-yl)acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2-(3-cyano-5-methylindol-1-yl)acetic acid;hydride;5-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;5-methyl-1H-indole-3-carbonitrile;oxido formate;phenylmethanamine;hydroxide is CC(=O)OC(C)=O.CC(C)(C)OC(=O)CBr.Cc1ccc2[nH]cc(C#N)c2c1.Cc1ccc2[nH]cc(C=O)c2c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(c1)c(C#N)cn2CC(=O)O.Cc1ccc2c(c1)c(C#N)cn2CC(=O)OC(C)(C)C.NCc1ccccc1.O=C(CNC1CC1)NCc1cccc(Cl)c1F.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=CNc1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)NCc3ccccc3)cc12.O=CO[O-].[C-]#[N+]c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)NCc3ccccc3)cc12.[C-]#[N+]c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C)cc12.[C-]#[N+]c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccccc12.[H-].[K+].[K+].[Na+].[OH-].
What is the InChIKey of dipotassium;sodium;acetyl acetate;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formamidoindole-5-carboxamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-isocyanoindole-5-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(3-cyano-5-methylindol-1-yl)acetate;heptakis(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyanoindol-1-yl)acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyano-5-methylindol-1-yl)acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2-(3-cyano-5-methylindol-1-yl)acetic acid;hydride;5-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;5-methyl-1H-indole-3-carbonitrile;oxido formate;phenylmethanamine;hydroxide?
The InChIKey is AWASZZLAXLWTJK-UHFFFAOYSA-L. The full InChI is InChI=1S/C31H29ClFN5O4.C31H27ClFN5O3.C24H22ClFN4O2.C23H20ClFN4O2.C16H18N2O2.C12H14ClFN2O.C12H10N2O2.C10H8N2.C10H9NO.C9H9N.C7H9N.C6H11BrO2.C4H6O3.CH2O3.7CO2.2K.Na.H2O.H/c32-25-8-4-7-22(30(25)33)15-34-28(40)17-38(23-10-11-23)29(41)18-37-16-26(36-19-39)24-13-21(9-12-27(24)37)31(42)35-14-20-5-2-1-3-6-20;1-34-26-17-37(27-13-10-21(14-24(26)27)31(41)36-15-20-6-3-2-4-7-20)19-29(40)38(23-11-12-23)18-28(39)35-16-22-8-5-9-25(32)30(22)33;1-15-6-9-21-18(10-15)20(27-2)12-29(21)14-23(32)30(17-7-8-17)13-22(31)28-11-16-4-3-5-19(25)24(16)26;1-26-19-12-28(20-8-3-2-6-17(19)20)14-22(31)29(16-9-10-16)13-21(30)27-11-15-5-4-7-18(24)23(15)25;1-11-5-6-14-13(7-11)12(8-17)9-18(14)10-15(19)20-16(2,3)4;13-10-3-1-2-8(12(10)14)6-16-11(17)7-15-9-4-5-9;1-8-2-3-11-10(4-8)9(5-13)6-14(11)7-12(15)16;1-7-2-3-10-9(4-7)8(5-11)6-12-10;1-7-2-3-10-9(4-7)8(6-12)5-11-10;1-7-2-3-9-8(6-7)4-5-10-9;8-6-7-4-2-1-3-5-7;1-6(2,3)9-5(8)4-7;1-3(5)7-4(2)6;2-1-4-3;7*2-1-3;;;;;/h1-9,12-13,16,19,23H,10-11,14-15,17-18H2,(H,34,40)(H,35,42)(H,36,39);2-10,13-14,17,23H,11-12,15-16,18-19H2,(H,35,39)(H,36,41);3-6,9-10,12,17H,7-8,11,13-14H2,1H3,(H,28,31);2-8,12,16H,9-11,13-14H2,(H,27,30);5-7,9H,10H2,1-4H3;1-3,9,15H,4-7H2,(H,16,17);2-4,6H,7H2,1H3,(H,15,16);2-4,6,12H,1H3;2-6,11H,1H3;2-6,10H,1H3;1-5H,6,8H2;4H2,1-3H3;1-2H3;1,3H;;;;;;;;;;;1H2;/q;;;;;;;;;;;;;;;;;;;;;3*+1;;-1/p-2.
What are the key properties of dipotassium;sodium;acetyl acetate;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formamidoindole-5-carboxamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-isocyanoindole-5-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(3-cyano-5-methylindol-1-yl)acetate;heptakis(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyanoindol-1-yl)acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyano-5-methylindol-1-yl)acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2-(3-cyano-5-methylindol-1-yl)acetic acid;hydride;5-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;5-methyl-1H-indole-3-carbonitrile;oxido formate;phenylmethanamine;hydroxide?
dipotassium;sodium;acetyl acetate;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formamidoindole-5-carboxamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-isocyanoindole-5-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(3-cyano-5-methylindol-1-yl)acetate;heptakis(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyanoindol-1-yl)acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyano-5-methylindol-1-yl)acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2-(3-cyano-5-methylindol-1-yl)acetic acid;hydride;5-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;5-methyl-1H-indole-3-carbonitrile;oxido formate;phenylmethanamine;hydroxide has a molecular weight of 4134.30 g/mol, XLogP of 20.65, 49 rotatable bonds, 14 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;sodium;acetyl acetate;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formamidoindole-5-carboxamide;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-isocyanoindole-5-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(3-cyano-5-methylindol-1-yl)acetate;heptakis(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyanoindol-1-yl)acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-(3-isocyano-5-methylindol-1-yl)acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2-(3-cyano-5-methylindol-1-yl)acetic acid;hydride;5-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;5-methyl-1H-indole-3-carbonitrile;oxido formate;phenylmethanamine;hydroxide is sourced from PubChem (CID 157132363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).