sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(6-carbamoyl-1H-indazol-3-yl)indole-1-carboxylate;tert-butyl 2-(6-carbamoyl-1H-indazol-3-yl)-5-formylindole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;N',N'-dimethylethane-1,2-diamine;1H-indazole-6-carbonitrile;1H-indazole-6-carboxamide;bis(3-iodo-2H-indazole-6-carboxamide);palladium;tetrakis(triphenylphosphane);hydroxide

C178H185BI2N23NaO17P4PdSi2 — CID 158297078

IUPACsodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(6-carbamoyl-1H-indazol-3-yl)indole-1-carboxylate;tert-butyl 2-(6-carbamoyl-1H-indazol-3-yl)-5-formylindole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;N',N'-dimethylethane-1,2-diamine;1H-indazole-6-carbonitrile;1H-indazole-6-carboxamide;bis(3-iodo-2H-indazole-6-carboxamide);palladium;tetrakis(triphenylphosphane);hydroxide
SMILESCC(C)(C)OC(=O)n1c(-c2n[nH]c3cc(C(N)=O)ccc23)cc2cc(C=O)ccc21.CC(C)(C)OC(=O)n1c(-c2n[nH]c3cc(C(N)=O)ccc23)cc2cc(CO[Si](C)(C)C(C)(C)C)ccc21.CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(CO[Si](C)(C)C(C)(C)C)ccc21.CN(C)CCN.N#Cc1ccc2cn[nH]c2c1.NC(=O)c1ccc2c(I)[nH]nc2c1.NC(=O)c1ccc2c(I)[nH]nc2c1.NC(=O)c1ccc2cn[nH]c2c1.[Na+].[OH-].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H36N4O4Si.C22H20N4O4.C20H32BNO5Si.4C18H15P.2C8H6IN3O.C8H7N3O.C8H5N3.C4H12N2.Na.H2O.Pd/c1-27(2,3)36-26(34)32-22-12-9-17(16-35-37(7,8)28(4,5)6)13-19(22)15-23(32)24-20-11-10-18(25(29)33)14-21(20)30-31-24;1-22(2,3)30-21(29)26-17-7-4-12(11-27)8-14(17)10-18(26)19-15-6-5-13(20(23)28)9-16(15)24-25-19;1-19(2,3)27-18(23)22-16-10-9-14(11-15(16)12-17(22)21(24)25)13-26-28(7,8)20(4,5)6;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*9-7-5-2-1-4(8(10)13)3-6(5)11-12-7;9-8(12)5-1-2-6-4-10-11-7(6)3-5;9-4-6-1-2-7-5-10-11-8(7)3-6;1-6(2)4-3-5;;;/h9-15H,16H2,1-8H3,(H2,29,33)(H,30,31);4-11H,1-3H3,(H2,23,28)(H,24,25);9-12,24-25H,13H2,1-8H3;4*1-15H;2*1-3H,(H2,10,13)(H,11,12);1-4H,(H2,9,12)(H,10,11);1-3,5H,(H,10,11);3-5H2,1-2H3;;1H2;/q;;;;;;;;;;;;+1;;/p-1
InChIKeyGMATWKXKOVLJNU-UHFFFAOYSA-M
MW3492.68 g/mol
LogP28.83
Rot. Bonds29

About sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(6-carbamoyl-1H-indazol-3-yl)indole-1-carboxylate;tert-butyl 2-(6-carbamoyl-1H-indazol-3-yl)-5-formylindole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;N',N'-dimethylethane-1,2-diamine;1H-indazole-6-carbonitrile;1H-indazole-6-carboxamide;bis(3-iodo-2H-indazole-6-carboxamide);palladium;tetrakis(triphenylphosphane);hydroxide

sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(6-carbamoyl-1H-indazol-3-yl)indole-1-carboxylate;tert-butyl 2-(6-carbamoyl-1H-indazol-3-yl)-5-formylindole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;N',N'-dimethylethane-1,2-diamine;1H-indazole-6-carbonitrile;1H-indazole-6-carboxamide;bis(3-iodo-2H-indazole-6-carboxamide);palladium;tetrakis(triphenylphosphane);hydroxide (PubChem CID 158297078) has the molecular formula C178H185BI2N23NaO17P4PdSi2 and a molecular weight of 3492.68 g/mol. Its IUPAC name is sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(6-carbamoyl-1H-indazol-3-yl)indole-1-carboxylate;tert-butyl 2-(6-carbamoyl-1H-indazol-3-yl)-5-formylindole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;N',N'-dimethylethane-1,2-diamine;1H-indazole-6-carbonitrile;1H-indazole-6-carboxamide;bis(3-iodo-2H-indazole-6-carboxamide);palladium;tetrakis(triphenylphosphane);hydroxide.

Molecular Properties

Compound Namesodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(6-carbamoyl-1H-indazol-3-yl)indole-1-carboxylate;tert-butyl 2-(6-carbamoyl-1H-indazol-3-yl)-5-formylindole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;N',N'-dimethylethane-1,2-diamine;1H-indazole-6-carbonitrile;1H-indazole-6-carboxamide;bis(3-iodo-2H-indazole-6-carboxamide);palladium;tetrakis(triphenylphosphane);hydroxide
PubChem CID158297078
Molecular FormulaC178H185BI2N23NaO17P4PdSi2
Molecular Weight3492.68 g/mol
Exact Mass3489.99
IUPAC Namesodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(6-carbamoyl-1H-indazol-3-yl)indole-1-carboxylate;tert-butyl 2-(6-carbamoyl-1H-indazol-3-yl)-5-formylindole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;N',N'-dimethylethane-1,2-diamine;1H-indazole-6-carbonitrile;1H-indazole-6-carboxamide;bis(3-iodo-2H-indazole-6-carboxamide);palladium;tetrakis(triphenylphosphane);hydroxide
SMILESCC(C)(C)OC(=O)n1c(-c2n[nH]c3cc(C(N)=O)ccc23)cc2cc(C=O)ccc21.CC(C)(C)OC(=O)n1c(-c2n[nH]c3cc(C(N)=O)ccc23)cc2cc(CO[Si](C)(C)C(C)(C)C)ccc21.CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(CO[Si](C)(C)C(C)(C)C)ccc21.CN(C)CCN.N#Cc1ccc2cn[nH]c2c1.NC(=O)c1ccc2c(I)[nH]nc2c1.NC(=O)c1ccc2c(I)[nH]nc2c1.NC(=O)c1ccc2cn[nH]c2c1.[Na+].[OH-].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H36N4O4Si.C22H20N4O4.C20H32BNO5Si.4C18H15P.2C8H6IN3O.C8H7N3O.C8H5N3.C4H12N2.Na.H2O.Pd/c1-27(2,3)36-26(34)32-22-12-9-17(16-35-37(7,8)28(4,5)6)13-19(22)15-23(32)24-20-11-10-18(25(29)33)14-21(20)30-31-24;1-22(2,3)30-21(29)26-17-7-4-12(11-27)8-14(17)10-18(26)19-15-6-5-13(20(23)28)9-16(15)24-25-19;1-19(2,3)27-18(23)22-16-10-9-14(11-15(16)12-17(22)21(24)25)13-26-28(7,8)20(4,5)6;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*9-7-5-2-1-4(8(10)13)3-6(5)11-12-7;9-8(12)5-1-2-6-4-10-11-7(6)3-5;9-4-6-1-2-7-5-10-11-8(7)3-6;1-6(2)4-3-5;;;/h9-15H,16H2,1-8H3,(H2,29,33)(H,30,31);4-11H,1-3H3,(H2,23,28)(H,24,25);9-12,24-25H,13H2,1-8H3;4*1-15H;2*1-3H,(H2,10,13)(H,11,12);1-4H,(H2,9,12)(H,10,11);1-3,5H,(H,10,11);3-5H2,1-2H3;;1H2;/q;;;;;;;;;;;;+1;;/p-1
InChIKeyGMATWKXKOVLJNU-UHFFFAOYSA-M
XLogP28.83
TPSA640.26 Ų
H-Bond Donors14
H-Bond Acceptors29
Rotatable Bonds29
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003492.68
LogP ≤ 528.83
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(6-carbamoyl-1H-indazol-3-yl)indole-1-carboxylate;tert-butyl 2-(6-carbamoyl-1H-indazol-3-yl)-5-formylindole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;N',N'-dimethylethane-1,2-diamine;1H-indazole-6-carbonitrile;1H-indazole-6-carboxamide;bis(3-iodo-2H-indazole-6-carboxamide);palladium;tetrakis(triphenylphosphane);hydroxide with MolForge

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Related Compounds

tert-butyl 3-[5-formyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]thieno[3,2-c]pyrazole-1-carboxylate;tert-butyl 3-[5-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]thieno[3,2-c]pyrazole-1-carboxylate;tert-butyl 3-[5-[hydroxy(phenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]thieno[3,2-c]pyrazole-1-carboxylate;phenyl-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]methanol
CID 159512013
tert-butyl 2-[4-(cyanomethyl)phenyl]indole-1-carboxylate
CID 25190804
tert-butyl 5-formyl-2-[(1E,3E)-4-[formyl(2-trimethylsilylethoxymethyl)amino]-3-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]buta-1,3-dienyl]indole-1-carboxylate
CID 88983464
tert-butyl 4-[6-[5-(ethylcarbamoyl)-2,3-dimethylphenyl]-1H-indazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;N-ethyl-3-(1H-indazol-6-yl)-4,5-dimethylbenzamide;N-ethyl-3-(3-iodo-2H-indazol-6-yl)-4,5-dimethylbenzamide
CID 91120523
tert-butyl 6-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate
CID 20821658
[1-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenylmethoxyindol-2-yl]boronic acid
CID 22309458
[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
CID 57355739
tert-butyl 2,7-diformylcarbazole-9-carboxylate
CID 10829746
tert-butyl 2-[3-chloro-5-(5-cyano-2H-triazol-4-yl)phenyl]indole-1-carboxylate
CID 122478077
[5-[3-(1,3-dioxol-2-yl)propyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
CID 141148112
tert-butyl 5-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indazole-1-carboxylate
CID 131846569
tert-butyl 6-cyano-2-[4-(4-pyridin-2-ylanilino)phenyl]indole-1-carboxylate
CID 90165338

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(6-carbamoyl-1H-indazol-3-yl)indole-1-carboxylate;tert-butyl 2-(6-carbamoyl-1H-indazol-3-yl)-5-formylindole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;N',N'-dimethylethane-1,2-diamine;1H-indazole-6-carbonitrile;1H-indazole-6-carboxamide;bis(3-iodo-2H-indazole-6-carboxamide);palladium;tetrakis(triphenylphosphane);hydroxide?
The IUPAC name of sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(6-carbamoyl-1H-indazol-3-yl)indole-1-carboxylate;tert-butyl 2-(6-carbamoyl-1H-indazol-3-yl)-5-formylindole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;N',N'-dimethylethane-1,2-diamine;1H-indazole-6-carbonitrile;1H-indazole-6-carboxamide;bis(3-iodo-2H-indazole-6-carboxamide);palladium;tetrakis(triphenylphosphane);hydroxide (CID 158297078) is sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(6-carbamoyl-1H-indazol-3-yl)indole-1-carboxylate;tert-butyl 2-(6-carbamoyl-1H-indazol-3-yl)-5-formylindole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;N',N'-dimethylethane-1,2-diamine;1H-indazole-6-carbonitrile;1H-indazole-6-carboxamide;bis(3-iodo-2H-indazole-6-carboxamide);palladium;tetrakis(triphenylphosphane);hydroxide.
What is the SMILES notation for sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(6-carbamoyl-1H-indazol-3-yl)indole-1-carboxylate;tert-butyl 2-(6-carbamoyl-1H-indazol-3-yl)-5-formylindole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;N',N'-dimethylethane-1,2-diamine;1H-indazole-6-carbonitrile;1H-indazole-6-carboxamide;bis(3-iodo-2H-indazole-6-carboxamide);palladium;tetrakis(triphenylphosphane);hydroxide?
The canonical SMILES for sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(6-carbamoyl-1H-indazol-3-yl)indole-1-carboxylate;tert-butyl 2-(6-carbamoyl-1H-indazol-3-yl)-5-formylindole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;N',N'-dimethylethane-1,2-diamine;1H-indazole-6-carbonitrile;1H-indazole-6-carboxamide;bis(3-iodo-2H-indazole-6-carboxamide);palladium;tetrakis(triphenylphosphane);hydroxide is CC(C)(C)OC(=O)n1c(-c2n[nH]c3cc(C(N)=O)ccc23)cc2cc(C=O)ccc21.CC(C)(C)OC(=O)n1c(-c2n[nH]c3cc(C(N)=O)ccc23)cc2cc(CO[Si](C)(C)C(C)(C)C)ccc21.CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(CO[Si](C)(C)C(C)(C)C)ccc21.CN(C)CCN.N#Cc1ccc2cn[nH]c2c1.NC(=O)c1ccc2c(I)[nH]nc2c1.NC(=O)c1ccc2c(I)[nH]nc2c1.NC(=O)c1ccc2cn[nH]c2c1.[Na+].[OH-].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(6-carbamoyl-1H-indazol-3-yl)indole-1-carboxylate;tert-butyl 2-(6-carbamoyl-1H-indazol-3-yl)-5-formylindole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;N',N'-dimethylethane-1,2-diamine;1H-indazole-6-carbonitrile;1H-indazole-6-carboxamide;bis(3-iodo-2H-indazole-6-carboxamide);palladium;tetrakis(triphenylphosphane);hydroxide?
The InChIKey is GMATWKXKOVLJNU-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H36N4O4Si.C22H20N4O4.C20H32BNO5Si.4C18H15P.2C8H6IN3O.C8H7N3O.C8H5N3.C4H12N2.Na.H2O.Pd/c1-27(2,3)36-26(34)32-22-12-9-17(16-35-37(7,8)28(4,5)6)13-19(22)15-23(32)24-20-11-10-18(25(29)33)14-21(20)30-31-24;1-22(2,3)30-21(29)26-17-7-4-12(11-27)8-14(17)10-18(26)19-15-6-5-13(20(23)28)9-16(15)24-25-19;1-19(2,3)27-18(23)22-16-10-9-14(11-15(16)12-17(22)21(24)25)13-26-28(7,8)20(4,5)6;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*9-7-5-2-1-4(8(10)13)3-6(5)11-12-7;9-8(12)5-1-2-6-4-10-11-7(6)3-5;9-4-6-1-2-7-5-10-11-8(7)3-6;1-6(2)4-3-5;;;/h9-15H,16H2,1-8H3,(H2,29,33)(H,30,31);4-11H,1-3H3,(H2,23,28)(H,24,25);9-12,24-25H,13H2,1-8H3;4*1-15H;2*1-3H,(H2,10,13)(H,11,12);1-4H,(H2,9,12)(H,10,11);1-3,5H,(H,10,11);3-5H2,1-2H3;;1H2;/q;;;;;;;;;;;;+1;;/p-1.
What are the key properties of sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(6-carbamoyl-1H-indazol-3-yl)indole-1-carboxylate;tert-butyl 2-(6-carbamoyl-1H-indazol-3-yl)-5-formylindole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;N',N'-dimethylethane-1,2-diamine;1H-indazole-6-carbonitrile;1H-indazole-6-carboxamide;bis(3-iodo-2H-indazole-6-carboxamide);palladium;tetrakis(triphenylphosphane);hydroxide?
sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(6-carbamoyl-1H-indazol-3-yl)indole-1-carboxylate;tert-butyl 2-(6-carbamoyl-1H-indazol-3-yl)-5-formylindole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;N',N'-dimethylethane-1,2-diamine;1H-indazole-6-carbonitrile;1H-indazole-6-carboxamide;bis(3-iodo-2H-indazole-6-carboxamide);palladium;tetrakis(triphenylphosphane);hydroxide has a molecular weight of 3492.68 g/mol, XLogP of 28.83, 29 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(6-carbamoyl-1H-indazol-3-yl)indole-1-carboxylate;tert-butyl 2-(6-carbamoyl-1H-indazol-3-yl)-5-formylindole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;N',N'-dimethylethane-1,2-diamine;1H-indazole-6-carbonitrile;1H-indazole-6-carboxamide;bis(3-iodo-2H-indazole-6-carboxamide);palladium;tetrakis(triphenylphosphane);hydroxide is sourced from PubChem (CID 158297078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).