methane;methyl 6-hydroxy-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 5-methyl-3H-isoindole-1-carboxylate;methyl 6-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazole-3-carboxylate;[1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-3-yl]methanol

C102H151N15O18Si6 — CID 161466241

IUPACmethane;methyl 6-hydroxy-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 5-methyl-3H-isoindole-1-carboxylate;methyl 6-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazole-3-carboxylate;[1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-3-yl]methanol
SMILESC.C.C.COC(=O)C1=NCc2cc(C)ccc21.COC(=O)c1nn(COCC[Si](C)(C)C)c2cc(C)ccc12.COC(=O)c1nn(COCC[Si](C)(C)C)c2cc(O)ccc12.COC(=O)c1nn(COCC[Si](C)(C)C)c2cc(Oc3ccc(-c4ccnn4COCC[Si](C)(C)C)cn3)ccc12.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3c(CO)nn(COCC[Si](C)(C)C)c3c2)nc1
InChIInChI=1S/C29H41N5O5Si2.C28H41N5O4Si2.C16H24N2O3Si.C15H22N2O4Si.C11H11NO2.3CH4/c1-36-29(35)28-24-10-9-23(18-26(24)34(32-28)21-38-15-17-41(5,6)7)39-27-11-8-22(19-30-27)25-12-13-31-33(25)20-37-14-16-40(2,3)4;1-38(2,3)15-13-35-20-32-26(11-12-30-32)22-7-10-28(29-18-22)37-23-8-9-24-25(19-34)31-33(27(24)17-23)21-36-14-16-39(4,5)6;1-12-6-7-13-14(10-12)18(17-15(13)16(19)20-2)11-21-8-9-22(3,4)5;1-20-15(19)14-12-6-5-11(18)9-13(12)17(16-14)10-21-7-8-22(2,3)4;1-7-3-4-9-8(5-7)6-12-10(9)11(13)14-2;;;/h8-13,18-19H,14-17,20-21H2,1-7H3;7-12,17-18,34H,13-16,19-21H2,1-6H3;6-7,10H,8-9,11H2,1-5H3;5-6,9,18H,7-8,10H2,1-4H3;3-5H,6H2,1-2H3;3*1H4
InChIKeyWCLYQKOSFLEAHC-UHFFFAOYSA-N
MW2043.93 g/mol
LogP22.37
Rot. Bonds41

About methane;methyl 6-hydroxy-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 5-methyl-3H-isoindole-1-carboxylate;methyl 6-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazole-3-carboxylate;[1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-3-yl]methanol

methane;methyl 6-hydroxy-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 5-methyl-3H-isoindole-1-carboxylate;methyl 6-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazole-3-carboxylate;[1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-3-yl]methanol (PubChem CID 161466241) has the molecular formula C102H151N15O18Si6 and a molecular weight of 2043.93 g/mol. Its IUPAC name is methane;methyl 6-hydroxy-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 5-methyl-3H-isoindole-1-carboxylate;methyl 6-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazole-3-carboxylate;[1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-3-yl]methanol.

Molecular Properties

Compound Namemethane;methyl 6-hydroxy-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 5-methyl-3H-isoindole-1-carboxylate;methyl 6-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazole-3-carboxylate;[1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-3-yl]methanol
PubChem CID161466241
Molecular FormulaC102H151N15O18Si6
Molecular Weight2043.93 g/mol
Exact Mass2042.00
IUPAC Namemethane;methyl 6-hydroxy-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 5-methyl-3H-isoindole-1-carboxylate;methyl 6-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazole-3-carboxylate;[1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-3-yl]methanol
SMILESC.C.C.COC(=O)C1=NCc2cc(C)ccc21.COC(=O)c1nn(COCC[Si](C)(C)C)c2cc(C)ccc12.COC(=O)c1nn(COCC[Si](C)(C)C)c2cc(O)ccc12.COC(=O)c1nn(COCC[Si](C)(C)C)c2cc(Oc3ccc(-c4ccnn4COCC[Si](C)(C)C)cn3)ccc12.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3c(CO)nn(COCC[Si](C)(C)C)c3c2)nc1
InChIInChI=1S/C29H41N5O5Si2.C28H41N5O4Si2.C16H24N2O3Si.C15H22N2O4Si.C11H11NO2.3CH4/c1-36-29(35)28-24-10-9-23(18-26(24)34(32-28)21-38-15-17-41(5,6)7)39-27-11-8-22(19-30-27)25-12-13-31-33(25)20-37-14-16-40(2,3)4;1-38(2,3)15-13-35-20-32-26(11-12-30-32)22-7-10-28(29-18-22)37-23-8-9-24-25(19-34)31-33(27(24)17-23)21-36-14-16-39(4,5)6;1-12-6-7-13-14(10-12)18(17-15(13)16(19)20-2)11-21-8-9-22(3,4)5;1-20-15(19)14-12-6-5-11(18)9-13(12)17(16-14)10-21-7-8-22(2,3)4;1-7-3-4-9-8(5-7)6-12-10(9)11(13)14-2;;;/h8-13,18-19H,14-17,20-21H2,1-7H3;7-12,17-18,34H,13-16,19-21H2,1-6H3;6-7,10H,8-9,11H2,1-5H3;5-6,9,18H,7-8,10H2,1-4H3;3-5H,6H2,1-2H3;3*1H4
InChIKeyWCLYQKOSFLEAHC-UHFFFAOYSA-N
XLogP22.37
TPSA364.56 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds41
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002043.93
LogP ≤ 522.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze methane;methyl 6-hydroxy-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 5-methyl-3H-isoindole-1-carboxylate;methyl 6-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazole-3-carboxylate;[1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-3-yl]methanol with MolForge

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Related Compounds

3-[[5-(1,1-Difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 162199239
Methyl 1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazole-3-carboxylate
CID 89949143
1-[2-(dimethylamino)ethyl]-3-propan-2-ylindole-6-carboxylic acid;N',1-dimethyl-3-propan-2-ylindole-6-carboximidamide;5-methoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;6-methoxy-1-methyl-4-propan-2-ylindole-2-carboxylic acid;2-methyl-5-(1-methyl-3-propan-2-ylindol-5-yl)-1,3,4-oxadiazole;1-methyl-5-phenylmethoxy-7-propan-2-ylindole-2-carboxylic acid;2-(1-methyl-3-propan-2-ylindol-6-yl)-1,3,4-oxadiazole;2-(1-methyl-7-propan-2-ylindol-2-yl)-1,3,4-oxadiazole;3-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylic acid;1,3,5-trimethyl-7-propan-2-ylindole-2-carboxylic acid
CID 157551792
3-[4-(2,3-Dihydro-1-benzofuran-6-yl)pyrazol-1-yl]benzoic acid;3-[4-[4-(dimethylamino)phenyl]pyrazol-1-yl]benzoic acid;3-[4-(3-methoxyphenyl)pyrazol-1-yl]benzoic acid;4-[4-(3-methoxyphenyl)pyrazol-1-yl]benzoic acid;3-(4-phenylpyrazol-1-yl)benzoic acid;4-(4-phenylpyrazol-1-yl)benzoic acid;3-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid
CID 158284922
6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-6-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[2-methyl-6-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-(2-methyl-6-phenoxyindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 159621128
tert-butyl 5-hydroxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-(2-piperidin-1-ylethoxy)indole-1-carboxylate;1-[(4-methylphenyl)methyl]-N-[4-oxo-5-[5-(2-piperidin-1-ylethoxy)-1H-inden-2-yl]cyclohexa-1,5-dien-1-yl]pyrazole-4-carboxamide
CID 160869901
CID 173652949
CID 173652949

Frequently Asked Questions

What is the IUPAC name of methane;methyl 6-hydroxy-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 5-methyl-3H-isoindole-1-carboxylate;methyl 6-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazole-3-carboxylate;[1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-3-yl]methanol?
The IUPAC name of methane;methyl 6-hydroxy-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 5-methyl-3H-isoindole-1-carboxylate;methyl 6-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazole-3-carboxylate;[1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-3-yl]methanol (CID 161466241) is methane;methyl 6-hydroxy-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 5-methyl-3H-isoindole-1-carboxylate;methyl 6-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazole-3-carboxylate;[1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-3-yl]methanol.
What is the SMILES notation for methane;methyl 6-hydroxy-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 5-methyl-3H-isoindole-1-carboxylate;methyl 6-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazole-3-carboxylate;[1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-3-yl]methanol?
The canonical SMILES for methane;methyl 6-hydroxy-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 5-methyl-3H-isoindole-1-carboxylate;methyl 6-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazole-3-carboxylate;[1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-3-yl]methanol is C.C.C.COC(=O)C1=NCc2cc(C)ccc21.COC(=O)c1nn(COCC[Si](C)(C)C)c2cc(C)ccc12.COC(=O)c1nn(COCC[Si](C)(C)C)c2cc(O)ccc12.COC(=O)c1nn(COCC[Si](C)(C)C)c2cc(Oc3ccc(-c4ccnn4COCC[Si](C)(C)C)cn3)ccc12.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3c(CO)nn(COCC[Si](C)(C)C)c3c2)nc1.
What is the InChIKey of methane;methyl 6-hydroxy-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 5-methyl-3H-isoindole-1-carboxylate;methyl 6-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazole-3-carboxylate;[1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-3-yl]methanol?
The InChIKey is WCLYQKOSFLEAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N5O5Si2.C28H41N5O4Si2.C16H24N2O3Si.C15H22N2O4Si.C11H11NO2.3CH4/c1-36-29(35)28-24-10-9-23(18-26(24)34(32-28)21-38-15-17-41(5,6)7)39-27-11-8-22(19-30-27)25-12-13-31-33(25)20-37-14-16-40(2,3)4;1-38(2,3)15-13-35-20-32-26(11-12-30-32)22-7-10-28(29-18-22)37-23-8-9-24-25(19-34)31-33(27(24)17-23)21-36-14-16-39(4,5)6;1-12-6-7-13-14(10-12)18(17-15(13)16(19)20-2)11-21-8-9-22(3,4)5;1-20-15(19)14-12-6-5-11(18)9-13(12)17(16-14)10-21-7-8-22(2,3)4;1-7-3-4-9-8(5-7)6-12-10(9)11(13)14-2;;;/h8-13,18-19H,14-17,20-21H2,1-7H3;7-12,17-18,34H,13-16,19-21H2,1-6H3;6-7,10H,8-9,11H2,1-5H3;5-6,9,18H,7-8,10H2,1-4H3;3-5H,6H2,1-2H3;3*1H4.
What are the key properties of methane;methyl 6-hydroxy-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 5-methyl-3H-isoindole-1-carboxylate;methyl 6-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazole-3-carboxylate;[1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-3-yl]methanol?
methane;methyl 6-hydroxy-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 5-methyl-3H-isoindole-1-carboxylate;methyl 6-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazole-3-carboxylate;[1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-3-yl]methanol has a molecular weight of 2043.93 g/mol, XLogP of 22.37, 41 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 6-hydroxy-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 5-methyl-3H-isoindole-1-carboxylate;methyl 6-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazole-3-carboxylate;[1-(2-trimethylsilylethoxymethyl)-6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-3-yl]methanol is sourced from PubChem (CID 161466241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).