tert-butyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoyl]-6-methoxyindazole-1-carboxylate;tert-butyl 3-formyl-6-methoxyindazole-1-carboxylate;tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane;[4-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carbonyl]phenyl]methyl dihydrogen phosphate;1-[3-[4-(hydroxymethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one;[4-(hydroxymethyl)phenyl]-(6-methoxy-1H-indazol-3-yl)methanone

C114H136IN10O24PSi2 — CID 157444272

IUPACtert-butyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoyl]-6-methoxyindazole-1-carboxylate;tert-butyl 3-formyl-6-methoxyindazole-1-carboxylate;tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane;[4-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carbonyl]phenyl]methyl dihydrogen phosphate;1-[3-[4-(hydroxymethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one;[4-(hydroxymethyl)phenyl]-(6-methoxy-1H-indazol-3-yl)methanone
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(I)cc1.COc1ccc2c(C(=O)c3ccc(CO)cc3)n[nH]c2c1.COc1ccc2c(C(=O)c3ccc(CO)cc3)nn(CC(=O)C(C)(C)C)c2c1.COc1ccc2c(C(=O)c3ccc(COP(=O)(O)O)cc3)nn(CC(=O)C(C)(C)C)c2c1.COc1ccc2c(C(=O)c3ccc(CO[Si](C)(C)C(C)(C)C)cc3)nn(C(=O)OC(C)(C)C)c2c1.COc1ccc2c(C=O)nn(C(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C27H36N2O5Si.C22H25N2O7P.C22H24N2O4.C16H14N2O3.C14H16N2O4.C13H21IOSi/c1-26(2,3)34-25(31)29-22-16-20(32-7)14-15-21(22)23(28-29)24(30)19-12-10-18(11-13-19)17-33-35(8,9)27(4,5)6;1-22(2,3)19(25)12-24-18-11-16(30-4)9-10-17(18)20(23-24)21(26)15-7-5-14(6-8-15)13-31-32(27,28)29;1-22(2,3)19(26)12-24-18-11-16(28-4)9-10-17(18)20(23-24)21(27)15-7-5-14(13-25)6-8-15;1-21-12-6-7-13-14(8-12)17-18-15(13)16(20)11-4-2-10(9-19)3-5-11;1-14(2,3)20-13(18)16-12-7-9(19-4)5-6-10(12)11(8-17)15-16;1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11/h10-16H,17H2,1-9H3;5-11H,12-13H2,1-4H3,(H2,27,28,29);5-11,25H,12-13H2,1-4H3;2-8,19H,9H2,1H3,(H,17,18);5-8H,1-4H3;6-9H,10H2,1-5H3
InChIKeyBSANUTIQMJOALI-UHFFFAOYSA-N
MW2244.44 g/mol
LogP23.21
Rot. Bonds29

About tert-butyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoyl]-6-methoxyindazole-1-carboxylate;tert-butyl 3-formyl-6-methoxyindazole-1-carboxylate;tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane;[4-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carbonyl]phenyl]methyl dihydrogen phosphate;1-[3-[4-(hydroxymethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one;[4-(hydroxymethyl)phenyl]-(6-methoxy-1H-indazol-3-yl)methanone

tert-butyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoyl]-6-methoxyindazole-1-carboxylate;tert-butyl 3-formyl-6-methoxyindazole-1-carboxylate;tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane;[4-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carbonyl]phenyl]methyl dihydrogen phosphate;1-[3-[4-(hydroxymethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one;[4-(hydroxymethyl)phenyl]-(6-methoxy-1H-indazol-3-yl)methanone (PubChem CID 157444272) has the molecular formula C114H136IN10O24PSi2 and a molecular weight of 2244.44 g/mol. Its IUPAC name is tert-butyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoyl]-6-methoxyindazole-1-carboxylate;tert-butyl 3-formyl-6-methoxyindazole-1-carboxylate;tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane;[4-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carbonyl]phenyl]methyl dihydrogen phosphate;1-[3-[4-(hydroxymethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one;[4-(hydroxymethyl)phenyl]-(6-methoxy-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Nametert-butyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoyl]-6-methoxyindazole-1-carboxylate;tert-butyl 3-formyl-6-methoxyindazole-1-carboxylate;tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane;[4-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carbonyl]phenyl]methyl dihydrogen phosphate;1-[3-[4-(hydroxymethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one;[4-(hydroxymethyl)phenyl]-(6-methoxy-1H-indazol-3-yl)methanone
PubChem CID157444272
Molecular FormulaC114H136IN10O24PSi2
Molecular Weight2244.44 g/mol
Exact Mass2242.80
IUPAC Nametert-butyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoyl]-6-methoxyindazole-1-carboxylate;tert-butyl 3-formyl-6-methoxyindazole-1-carboxylate;tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane;[4-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carbonyl]phenyl]methyl dihydrogen phosphate;1-[3-[4-(hydroxymethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one;[4-(hydroxymethyl)phenyl]-(6-methoxy-1H-indazol-3-yl)methanone
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(I)cc1.COc1ccc2c(C(=O)c3ccc(CO)cc3)n[nH]c2c1.COc1ccc2c(C(=O)c3ccc(CO)cc3)nn(CC(=O)C(C)(C)C)c2c1.COc1ccc2c(C(=O)c3ccc(COP(=O)(O)O)cc3)nn(CC(=O)C(C)(C)C)c2c1.COc1ccc2c(C(=O)c3ccc(CO[Si](C)(C)C(C)(C)C)cc3)nn(C(=O)OC(C)(C)C)c2c1.COc1ccc2c(C=O)nn(C(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C27H36N2O5Si.C22H25N2O7P.C22H24N2O4.C16H14N2O3.C14H16N2O4.C13H21IOSi/c1-26(2,3)34-25(31)29-22-16-20(32-7)14-15-21(22)23(28-29)24(30)19-12-10-18(11-13-19)17-33-35(8,9)27(4,5)6;1-22(2,3)19(25)12-24-18-11-16(30-4)9-10-17(18)20(23-24)21(26)15-7-5-14(6-8-15)13-31-32(27,28)29;1-22(2,3)19(26)12-24-18-11-16(28-4)9-10-17(18)20(23-24)21(27)15-7-5-14(13-25)6-8-15;1-21-12-6-7-13-14(8-12)17-18-15(13)16(20)11-4-2-10(9-19)3-5-11;1-14(2,3)20-13(18)16-12-7-9(19-4)5-6-10(12)11(8-17)15-16;1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11/h10-16H,17H2,1-9H3;5-11H,12-13H2,1-4H3,(H2,27,28,29);5-11,25H,12-13H2,1-4H3;2-8,19H,9H2,1H3,(H,17,18);5-8H,1-4H3;6-9H,10H2,1-5H3
InChIKeyBSANUTIQMJOALI-UHFFFAOYSA-N
XLogP23.21
TPSA443.88 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds29
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002244.44
LogP ≤ 523.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'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 tert-butyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoyl]-6-methoxyindazole-1-carboxylate;tert-butyl 3-formyl-6-methoxyindazole-1-carboxylate;tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane;[4-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carbonyl]phenyl]methyl dihydrogen phosphate;1-[3-[4-(hydroxymethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one;[4-(hydroxymethyl)phenyl]-(6-methoxy-1H-indazol-3-yl)methanone with MolForge

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Related Compounds

benzaldehyde;4-(3-benzoylindazol-1-yl)benzoic acid;ethane;1-ethyl-4-methoxybenzene;1H-indazol-3-yl(phenyl)methanone;1-iodo-4-methylbenzene;methane;[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-phenylmethanol;1-[(4-methoxyphenyl)methyl]-3-methylindazole;3-methyl-2H-indazole
CID 159929353
tert-butyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoyl]-6-methoxyindazole-1-carboxylate;tert-butyl 3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-hydroxymethyl]-6-methoxyindazole-1-carboxylate;hydroxychloranuidylmethane;[4-(hydroxymethyl)phenyl]-(6-methoxy-1H-indazol-3-yl)methanone;hydrate
CID 159935252

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoyl]-6-methoxyindazole-1-carboxylate;tert-butyl 3-formyl-6-methoxyindazole-1-carboxylate;tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane;[4-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carbonyl]phenyl]methyl dihydrogen phosphate;1-[3-[4-(hydroxymethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one;[4-(hydroxymethyl)phenyl]-(6-methoxy-1H-indazol-3-yl)methanone?
The IUPAC name of tert-butyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoyl]-6-methoxyindazole-1-carboxylate;tert-butyl 3-formyl-6-methoxyindazole-1-carboxylate;tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane;[4-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carbonyl]phenyl]methyl dihydrogen phosphate;1-[3-[4-(hydroxymethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one;[4-(hydroxymethyl)phenyl]-(6-methoxy-1H-indazol-3-yl)methanone (CID 157444272) is tert-butyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoyl]-6-methoxyindazole-1-carboxylate;tert-butyl 3-formyl-6-methoxyindazole-1-carboxylate;tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane;[4-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carbonyl]phenyl]methyl dihydrogen phosphate;1-[3-[4-(hydroxymethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one;[4-(hydroxymethyl)phenyl]-(6-methoxy-1H-indazol-3-yl)methanone.
What is the SMILES notation for tert-butyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoyl]-6-methoxyindazole-1-carboxylate;tert-butyl 3-formyl-6-methoxyindazole-1-carboxylate;tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane;[4-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carbonyl]phenyl]methyl dihydrogen phosphate;1-[3-[4-(hydroxymethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one;[4-(hydroxymethyl)phenyl]-(6-methoxy-1H-indazol-3-yl)methanone?
The canonical SMILES for tert-butyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoyl]-6-methoxyindazole-1-carboxylate;tert-butyl 3-formyl-6-methoxyindazole-1-carboxylate;tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane;[4-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carbonyl]phenyl]methyl dihydrogen phosphate;1-[3-[4-(hydroxymethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one;[4-(hydroxymethyl)phenyl]-(6-methoxy-1H-indazol-3-yl)methanone is CC(C)(C)[Si](C)(C)OCc1ccc(I)cc1.COc1ccc2c(C(=O)c3ccc(CO)cc3)n[nH]c2c1.COc1ccc2c(C(=O)c3ccc(CO)cc3)nn(CC(=O)C(C)(C)C)c2c1.COc1ccc2c(C(=O)c3ccc(COP(=O)(O)O)cc3)nn(CC(=O)C(C)(C)C)c2c1.COc1ccc2c(C(=O)c3ccc(CO[Si](C)(C)C(C)(C)C)cc3)nn(C(=O)OC(C)(C)C)c2c1.COc1ccc2c(C=O)nn(C(=O)OC(C)(C)C)c2c1.
What is the InChIKey of tert-butyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoyl]-6-methoxyindazole-1-carboxylate;tert-butyl 3-formyl-6-methoxyindazole-1-carboxylate;tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane;[4-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carbonyl]phenyl]methyl dihydrogen phosphate;1-[3-[4-(hydroxymethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one;[4-(hydroxymethyl)phenyl]-(6-methoxy-1H-indazol-3-yl)methanone?
The InChIKey is BSANUTIQMJOALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O5Si.C22H25N2O7P.C22H24N2O4.C16H14N2O3.C14H16N2O4.C13H21IOSi/c1-26(2,3)34-25(31)29-22-16-20(32-7)14-15-21(22)23(28-29)24(30)19-12-10-18(11-13-19)17-33-35(8,9)27(4,5)6;1-22(2,3)19(25)12-24-18-11-16(30-4)9-10-17(18)20(23-24)21(26)15-7-5-14(6-8-15)13-31-32(27,28)29;1-22(2,3)19(26)12-24-18-11-16(28-4)9-10-17(18)20(23-24)21(27)15-7-5-14(13-25)6-8-15;1-21-12-6-7-13-14(8-12)17-18-15(13)16(20)11-4-2-10(9-19)3-5-11;1-14(2,3)20-13(18)16-12-7-9(19-4)5-6-10(12)11(8-17)15-16;1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11/h10-16H,17H2,1-9H3;5-11H,12-13H2,1-4H3,(H2,27,28,29);5-11,25H,12-13H2,1-4H3;2-8,19H,9H2,1H3,(H,17,18);5-8H,1-4H3;6-9H,10H2,1-5H3.
What are the key properties of tert-butyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoyl]-6-methoxyindazole-1-carboxylate;tert-butyl 3-formyl-6-methoxyindazole-1-carboxylate;tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane;[4-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carbonyl]phenyl]methyl dihydrogen phosphate;1-[3-[4-(hydroxymethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one;[4-(hydroxymethyl)phenyl]-(6-methoxy-1H-indazol-3-yl)methanone?
tert-butyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoyl]-6-methoxyindazole-1-carboxylate;tert-butyl 3-formyl-6-methoxyindazole-1-carboxylate;tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane;[4-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carbonyl]phenyl]methyl dihydrogen phosphate;1-[3-[4-(hydroxymethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one;[4-(hydroxymethyl)phenyl]-(6-methoxy-1H-indazol-3-yl)methanone has a molecular weight of 2244.44 g/mol, XLogP of 23.21, 29 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoyl]-6-methoxyindazole-1-carboxylate;tert-butyl 3-formyl-6-methoxyindazole-1-carboxylate;tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane;[4-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carbonyl]phenyl]methyl dihydrogen phosphate;1-[3-[4-(hydroxymethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one;[4-(hydroxymethyl)phenyl]-(6-methoxy-1H-indazol-3-yl)methanone is sourced from PubChem (CID 157444272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).