lithium;N-(3-aminopropyl)-4-(1H-indazol-3-yl)benzamide;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-(1H-indazol-3-yl)benzoyl]amino]propyl]carbamate;tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;1H-indazole;4-(1H-indazol-3-yl)-N-[3-(methylamino)propyl]benzamide;3-iodo-2H-indazole;2-[(3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoate;molecular iodine;4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoic acid;hydroxide;hydroiodide

C175H228BClI5LiN28O24Si5 — CID 157354155

IUPAClithium;N-(3-aminopropyl)-4-(1H-indazol-3-yl)benzamide;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-(1H-indazol-3-yl)benzoyl]amino]propyl]carbamate;tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;1H-indazole;4-(1H-indazol-3-yl)-N-[3-(methylamino)propyl]benzamide;3-iodo-2H-indazole;2-[(3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoate;molecular iodine;4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoic acid;hydroxide;hydroiodide
SMILESCC(C)(C)OC(=O)NCCCN.CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(-c2nn(COCC[Si](C)(C)C)c3ccccc23)cc1.CNCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.COC(=O)c1ccc(-c2nn(COCC[Si](C)(C)C)c3ccccc23)cc1.COC(=O)c1ccc(B(O)O)cc1.C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1nc(-c2ccc(C(=O)O)cc2)c2ccccc21.C[Si](C)(C)CCOCn1nc(I)c2ccccc21.I.II.Ic1[nH]nc2ccccc12.NCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.[Li+].[OH-].c1ccc2[nH]ncc2c1
InChIInChI=1S/C28H40N4O4Si.C22H26N4O3.C21H26N2O3Si.C20H24N2O3Si.C18H20N4O.C17H18N4O.C13H19IN2OSi.C8H9BO4.C8H18N2O2.C7H5IN2.C7H6N2.C6H15ClOSi.I2.HI.Li.H2O/c1-28(2,3)36-27(34)30-17-9-16-29-26(33)22-14-12-21(13-15-22)25-23-10-7-8-11-24(23)32(31-25)20-35-18-19-37(4,5)6;1-22(2,3)29-21(28)24-14-6-13-23-20(27)16-11-9-15(10-12-16)19-17-7-4-5-8-18(17)25-26-19;1-25-21(24)17-11-9-16(10-12-17)20-18-7-5-6-8-19(18)23(22-20)15-26-13-14-27(2,3)4;1-26(2,3)13-12-25-14-22-18-7-5-4-6-17(18)19(21-22)15-8-10-16(11-9-15)20(23)24;1-19-11-4-12-20-18(23)14-9-7-13(8-10-14)17-15-5-2-3-6-16(15)21-22-17;18-10-3-11-19-17(22)13-8-6-12(7-9-13)16-14-4-1-2-5-15(14)20-21-16;1-18(2,3)9-8-17-10-16-12-7-5-4-6-11(12)13(14)15-16;1-13-8(10)6-2-4-7(5-3-6)9(11)12;1-8(2,3)12-7(11)10-6-4-5-9;8-7-5-3-1-2-4-6(5)9-10-7;1-2-4-7-6(3-1)5-8-9-7;1-9(2,3)5-4-8-6-7;1-2;;;/h7-8,10-15H,9,16-20H2,1-6H3,(H,29,33)(H,30,34);4-5,7-12H,6,13-14H2,1-3H3,(H,23,27)(H,24,28)(H,25,26);5-12H,13-15H2,1-4H3;4-11H,12-14H2,1-3H3,(H,23,24);2-3,5-10,19H,4,11-12H2,1H3,(H,20,23)(H,21,22);1-2,4-9H,3,10-11,18H2,(H,19,22)(H,20,21);4-7H,8-10H2,1-3H3;2-5,11-12H,1H3;4-6,9H2,1-3H3,(H,10,11);1-4H,(H,9,10);1-5H,(H,8,9);4-6H2,1-3H3;;1H;;1H2/q;;;;;;;;;;;;;;+1;/p-1
InChIKeyUEMGIGCNYGZSIO-UHFFFAOYSA-M
MW3936.08 g/mol
LogP33.38
Rot. Bonds56

About lithium;N-(3-aminopropyl)-4-(1H-indazol-3-yl)benzamide;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-(1H-indazol-3-yl)benzoyl]amino]propyl]carbamate;tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;1H-indazole;4-(1H-indazol-3-yl)-N-[3-(methylamino)propyl]benzamide;3-iodo-2H-indazole;2-[(3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoate;molecular iodine;4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoic acid;hydroxide;hydroiodide

lithium;N-(3-aminopropyl)-4-(1H-indazol-3-yl)benzamide;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-(1H-indazol-3-yl)benzoyl]amino]propyl]carbamate;tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;1H-indazole;4-(1H-indazol-3-yl)-N-[3-(methylamino)propyl]benzamide;3-iodo-2H-indazole;2-[(3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoate;molecular iodine;4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoic acid;hydroxide;hydroiodide (PubChem CID 157354155) has the molecular formula C175H228BClI5LiN28O24Si5 and a molecular weight of 3936.08 g/mol. Its IUPAC name is lithium;N-(3-aminopropyl)-4-(1H-indazol-3-yl)benzamide;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-(1H-indazol-3-yl)benzoyl]amino]propyl]carbamate;tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;1H-indazole;4-(1H-indazol-3-yl)-N-[3-(methylamino)propyl]benzamide;3-iodo-2H-indazole;2-[(3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoate;molecular iodine;4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoic acid;hydroxide;hydroiodide.

Molecular Properties

Compound Namelithium;N-(3-aminopropyl)-4-(1H-indazol-3-yl)benzamide;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-(1H-indazol-3-yl)benzoyl]amino]propyl]carbamate;tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;1H-indazole;4-(1H-indazol-3-yl)-N-[3-(methylamino)propyl]benzamide;3-iodo-2H-indazole;2-[(3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoate;molecular iodine;4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoic acid;hydroxide;hydroiodide
PubChem CID157354155
Molecular FormulaC175H228BClI5LiN28O24Si5
Molecular Weight3936.08 g/mol
Exact Mass3933.15
IUPAC Namelithium;N-(3-aminopropyl)-4-(1H-indazol-3-yl)benzamide;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-(1H-indazol-3-yl)benzoyl]amino]propyl]carbamate;tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;1H-indazole;4-(1H-indazol-3-yl)-N-[3-(methylamino)propyl]benzamide;3-iodo-2H-indazole;2-[(3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoate;molecular iodine;4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoic acid;hydroxide;hydroiodide
SMILESCC(C)(C)OC(=O)NCCCN.CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(-c2nn(COCC[Si](C)(C)C)c3ccccc23)cc1.CNCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.COC(=O)c1ccc(-c2nn(COCC[Si](C)(C)C)c3ccccc23)cc1.COC(=O)c1ccc(B(O)O)cc1.C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1nc(-c2ccc(C(=O)O)cc2)c2ccccc21.C[Si](C)(C)CCOCn1nc(I)c2ccccc21.I.II.Ic1[nH]nc2ccccc12.NCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.[Li+].[OH-].c1ccc2[nH]ncc2c1
InChIInChI=1S/C28H40N4O4Si.C22H26N4O3.C21H26N2O3Si.C20H24N2O3Si.C18H20N4O.C17H18N4O.C13H19IN2OSi.C8H9BO4.C8H18N2O2.C7H5IN2.C7H6N2.C6H15ClOSi.I2.HI.Li.H2O/c1-28(2,3)36-27(34)30-17-9-16-29-26(33)22-14-12-21(13-15-22)25-23-10-7-8-11-24(23)32(31-25)20-35-18-19-37(4,5)6;1-22(2,3)29-21(28)24-14-6-13-23-20(27)16-11-9-15(10-12-16)19-17-7-4-5-8-18(17)25-26-19;1-25-21(24)17-11-9-16(10-12-17)20-18-7-5-6-8-19(18)23(22-20)15-26-13-14-27(2,3)4;1-26(2,3)13-12-25-14-22-18-7-5-4-6-17(18)19(21-22)15-8-10-16(11-9-15)20(23)24;1-19-11-4-12-20-18(23)14-9-7-13(8-10-14)17-15-5-2-3-6-16(15)21-22-17;18-10-3-11-19-17(22)13-8-6-12(7-9-13)16-14-4-1-2-5-15(14)20-21-16;1-18(2,3)9-8-17-10-16-12-7-5-4-6-11(12)13(14)15-16;1-13-8(10)6-2-4-7(5-3-6)9(11)12;1-8(2,3)12-7(11)10-6-4-5-9;8-7-5-3-1-2-4-6(5)9-10-7;1-2-4-7-6(3-1)5-8-9-7;1-9(2,3)5-4-8-6-7;1-2;;;/h7-8,10-15H,9,16-20H2,1-6H3,(H,29,33)(H,30,34);4-5,7-12H,6,13-14H2,1-3H3,(H,23,27)(H,24,28)(H,25,26);5-12H,13-15H2,1-4H3;4-11H,12-14H2,1-3H3,(H,23,24);2-3,5-10,19H,4,11-12H2,1H3,(H,20,23)(H,21,22);1-2,4-9H,3,10-11,18H2,(H,19,22)(H,20,21);4-7H,8-10H2,1-3H3;2-5,11-12H,1H3;4-6,9H2,1-3H3,(H,10,11);1-4H,(H,9,10);1-5H,(H,8,9);4-6H2,1-3H3;;1H;;1H2/q;;;;;;;;;;;;;;+1;/p-1
InChIKeyUEMGIGCNYGZSIO-UHFFFAOYSA-M
XLogP33.38
TPSA716.65 Ų
H-Bond Donors18
H-Bond Acceptors39
Rotatable Bonds56
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003936.08
LogP ≤ 533.38
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze lithium;N-(3-aminopropyl)-4-(1H-indazol-3-yl)benzamide;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-(1H-indazol-3-yl)benzoyl]amino]propyl]carbamate;tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;1H-indazole;4-(1H-indazol-3-yl)-N-[3-(methylamino)propyl]benzamide;3-iodo-2H-indazole;2-[(3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoate;molecular iodine;4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoic acid;hydroxide;hydroiodide with MolForge

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Related Compounds

sodium;1-benzyl-4-iodopyrazole;2-[3-[4-(1-benzylpyrazol-4-yl)phenyl]propanoylamino]benzoic acid;ethyl 2-[3-[4-(1-benzylpyrazol-4-yl)phenyl]propanoylamino]benzoate;[4-(3-methoxy-3-oxopropyl)phenyl]boronic acid;methyl 3-[4-(1-benzylpyrazol-4-yl)phenyl]propanoate;2-[3-[4-(1H-pyrazol-4-yl)phenyl]propanoylamino]benzoic acid;hydroxide
CID 159005845
CID 159550064
CID 159550064
lithium;N-(3-aminopropyl)-4-(3H-isoindol-1-yl)benzamide;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-(3H-isoindol-1-yl)benzoyl]amino]propyl]carbamate;tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate;tris(2-(chloromethoxy)ethyl-trimethylsilane);2-[(3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;3-iodo-1H-isoindole;1H-isoindole;4-(3H-isoindol-1-yl)-N-[3-(methylamino)propyl]benzamide;methanol;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoate;molecular iodine;4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoic acid;hydroxide;hydroiodide
CID 160065704
tert-butyl 4-aminoindazole-1-carboxylate;tert-butyl 4-[[(2R)-1-[1-(4-iodophenyl)cyclopentanecarbonyl]pyrrolidine-2-carbonyl]amino]indazole-1-carboxylate;tert-butyl 4-[[(2R)-1-[1-(4-methoxycarbonylphenyl)cyclopentanecarbonyl]pyrrolidine-2-carbonyl]amino]indazole-1-carboxylate;tert-butyl 4-[[(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]indazole-1-carboxylate;tert-butyl 4-[[(2R)-pyrrolidine-2-carbonyl]amino]indazole-1-carboxylate;4-[1-[(2R)-2-(1H-indazol-4-ylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentyl]benzoic acid;methyl 4-[1-[(2R)-2-(1H-indazol-4-ylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentyl]benzoate;(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 160178121
methyl 3-[[4-[2-[6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzoate;3-[[4-[2-oxo-2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethyl]pyrazol-1-yl]methyl]benzoic acid
CID 161304987

Frequently Asked Questions

What is the IUPAC name of lithium;N-(3-aminopropyl)-4-(1H-indazol-3-yl)benzamide;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-(1H-indazol-3-yl)benzoyl]amino]propyl]carbamate;tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;1H-indazole;4-(1H-indazol-3-yl)-N-[3-(methylamino)propyl]benzamide;3-iodo-2H-indazole;2-[(3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoate;molecular iodine;4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoic acid;hydroxide;hydroiodide?
The IUPAC name of lithium;N-(3-aminopropyl)-4-(1H-indazol-3-yl)benzamide;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-(1H-indazol-3-yl)benzoyl]amino]propyl]carbamate;tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;1H-indazole;4-(1H-indazol-3-yl)-N-[3-(methylamino)propyl]benzamide;3-iodo-2H-indazole;2-[(3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoate;molecular iodine;4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoic acid;hydroxide;hydroiodide (CID 157354155) is lithium;N-(3-aminopropyl)-4-(1H-indazol-3-yl)benzamide;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-(1H-indazol-3-yl)benzoyl]amino]propyl]carbamate;tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;1H-indazole;4-(1H-indazol-3-yl)-N-[3-(methylamino)propyl]benzamide;3-iodo-2H-indazole;2-[(3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoate;molecular iodine;4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoic acid;hydroxide;hydroiodide.
What is the SMILES notation for lithium;N-(3-aminopropyl)-4-(1H-indazol-3-yl)benzamide;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-(1H-indazol-3-yl)benzoyl]amino]propyl]carbamate;tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;1H-indazole;4-(1H-indazol-3-yl)-N-[3-(methylamino)propyl]benzamide;3-iodo-2H-indazole;2-[(3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoate;molecular iodine;4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoic acid;hydroxide;hydroiodide?
The canonical SMILES for lithium;N-(3-aminopropyl)-4-(1H-indazol-3-yl)benzamide;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-(1H-indazol-3-yl)benzoyl]amino]propyl]carbamate;tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;1H-indazole;4-(1H-indazol-3-yl)-N-[3-(methylamino)propyl]benzamide;3-iodo-2H-indazole;2-[(3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoate;molecular iodine;4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoic acid;hydroxide;hydroiodide is CC(C)(C)OC(=O)NCCCN.CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(-c2nn(COCC[Si](C)(C)C)c3ccccc23)cc1.CNCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.COC(=O)c1ccc(-c2nn(COCC[Si](C)(C)C)c3ccccc23)cc1.COC(=O)c1ccc(B(O)O)cc1.C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1nc(-c2ccc(C(=O)O)cc2)c2ccccc21.C[Si](C)(C)CCOCn1nc(I)c2ccccc21.I.II.Ic1[nH]nc2ccccc12.NCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.[Li+].[OH-].c1ccc2[nH]ncc2c1.
What is the InChIKey of lithium;N-(3-aminopropyl)-4-(1H-indazol-3-yl)benzamide;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-(1H-indazol-3-yl)benzoyl]amino]propyl]carbamate;tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;1H-indazole;4-(1H-indazol-3-yl)-N-[3-(methylamino)propyl]benzamide;3-iodo-2H-indazole;2-[(3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoate;molecular iodine;4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoic acid;hydroxide;hydroiodide?
The InChIKey is UEMGIGCNYGZSIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H40N4O4Si.C22H26N4O3.C21H26N2O3Si.C20H24N2O3Si.C18H20N4O.C17H18N4O.C13H19IN2OSi.C8H9BO4.C8H18N2O2.C7H5IN2.C7H6N2.C6H15ClOSi.I2.HI.Li.H2O/c1-28(2,3)36-27(34)30-17-9-16-29-26(33)22-14-12-21(13-15-22)25-23-10-7-8-11-24(23)32(31-25)20-35-18-19-37(4,5)6;1-22(2,3)29-21(28)24-14-6-13-23-20(27)16-11-9-15(10-12-16)19-17-7-4-5-8-18(17)25-26-19;1-25-21(24)17-11-9-16(10-12-17)20-18-7-5-6-8-19(18)23(22-20)15-26-13-14-27(2,3)4;1-26(2,3)13-12-25-14-22-18-7-5-4-6-17(18)19(21-22)15-8-10-16(11-9-15)20(23)24;1-19-11-4-12-20-18(23)14-9-7-13(8-10-14)17-15-5-2-3-6-16(15)21-22-17;18-10-3-11-19-17(22)13-8-6-12(7-9-13)16-14-4-1-2-5-15(14)20-21-16;1-18(2,3)9-8-17-10-16-12-7-5-4-6-11(12)13(14)15-16;1-13-8(10)6-2-4-7(5-3-6)9(11)12;1-8(2,3)12-7(11)10-6-4-5-9;8-7-5-3-1-2-4-6(5)9-10-7;1-2-4-7-6(3-1)5-8-9-7;1-9(2,3)5-4-8-6-7;1-2;;;/h7-8,10-15H,9,16-20H2,1-6H3,(H,29,33)(H,30,34);4-5,7-12H,6,13-14H2,1-3H3,(H,23,27)(H,24,28)(H,25,26);5-12H,13-15H2,1-4H3;4-11H,12-14H2,1-3H3,(H,23,24);2-3,5-10,19H,4,11-12H2,1H3,(H,20,23)(H,21,22);1-2,4-9H,3,10-11,18H2,(H,19,22)(H,20,21);4-7H,8-10H2,1-3H3;2-5,11-12H,1H3;4-6,9H2,1-3H3,(H,10,11);1-4H,(H,9,10);1-5H,(H,8,9);4-6H2,1-3H3;;1H;;1H2/q;;;;;;;;;;;;;;+1;/p-1.
What are the key properties of lithium;N-(3-aminopropyl)-4-(1H-indazol-3-yl)benzamide;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-(1H-indazol-3-yl)benzoyl]amino]propyl]carbamate;tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;1H-indazole;4-(1H-indazol-3-yl)-N-[3-(methylamino)propyl]benzamide;3-iodo-2H-indazole;2-[(3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoate;molecular iodine;4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoic acid;hydroxide;hydroiodide?
lithium;N-(3-aminopropyl)-4-(1H-indazol-3-yl)benzamide;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-(1H-indazol-3-yl)benzoyl]amino]propyl]carbamate;tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;1H-indazole;4-(1H-indazol-3-yl)-N-[3-(methylamino)propyl]benzamide;3-iodo-2H-indazole;2-[(3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoate;molecular iodine;4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoic acid;hydroxide;hydroiodide has a molecular weight of 3936.08 g/mol, XLogP of 33.38, 56 rotatable bonds, 18 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;N-(3-aminopropyl)-4-(1H-indazol-3-yl)benzamide;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-(1H-indazol-3-yl)benzoyl]amino]propyl]carbamate;tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;1H-indazole;4-(1H-indazol-3-yl)-N-[3-(methylamino)propyl]benzamide;3-iodo-2H-indazole;2-[(3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoate;molecular iodine;4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoic acid;hydroxide;hydroiodide is sourced from PubChem (CID 157354155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).