4-O-tert-butyl 1-O-methyl 2-[[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]methyl]butanedioate

C24H38N2O5Si — CID 69072989

IUPAC4-O-tert-butyl 1-O-methyl 2-[[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]methyl]butanedioate
SMILESCOC(=O)C(CC(=O)OC(C)(C)C)Cc1cc(C)c2nn(COCC[Si](C)(C)C)cc2c1
InChIInChI=1S/C24H38N2O5Si/c1-17-11-18(12-19(23(28)29-5)14-21(27)31-24(2,3)4)13-20-15-26(25-22(17)20)16-30-9-10-32(6,7)8/h11,13,15,19H,9-10,12,14,16H2,1-8H3
InChIKeyRDFXVYXHPBYCJQ-UHFFFAOYSA-N
MW462.66 g/mol
LogP4.72
Rot. Bonds10

About 4-O-tert-butyl 1-O-methyl 2-[[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]methyl]butanedioate

4-O-tert-butyl 1-O-methyl 2-[[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]methyl]butanedioate (PubChem CID 69072989) has the molecular formula C24H38N2O5Si and a molecular weight of 462.66 g/mol. Its IUPAC name is 4-O-tert-butyl 1-O-methyl 2-[[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]methyl]butanedioate.

Molecular Properties

Compound Name4-O-tert-butyl 1-O-methyl 2-[[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]methyl]butanedioate
PubChem CID69072989
Molecular FormulaC24H38N2O5Si
Molecular Weight462.66 g/mol
Exact Mass462.25
IUPAC Name4-O-tert-butyl 1-O-methyl 2-[[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]methyl]butanedioate
SMILESCOC(=O)C(CC(=O)OC(C)(C)C)Cc1cc(C)c2nn(COCC[Si](C)(C)C)cc2c1
InChIInChI=1S/C24H38N2O5Si/c1-17-11-18(12-19(23(28)29-5)14-21(27)31-24(2,3)4)13-20-15-26(25-22(17)20)16-30-9-10-32(6,7)8/h11,13,15,19H,9-10,12,14,16H2,1-8H3
InChIKeyRDFXVYXHPBYCJQ-UHFFFAOYSA-N
XLogP4.72
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.66
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[1-[1-[(2-chloro-6-methyl-4-pyridinyl)methyl]imidazol-2-yl]-2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethyl]carbamic acid
CID 87679960
[(E)-3-methoxy-1-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3-oxoprop-1-en-2-yl]carbamic acid
CID 69072732
[2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl]carbamic acid
CID 69064695
2-[[5-[2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-7-methylindazol-2-yl]methoxy]ethyl-dimethylsulfanium
CID 149465495
4-[[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]methoxymethyl]-4-phenylpiperidine-1-carboxylic acid
CID 67403173
4-O-tert-butyl 1-O-(2-trimethylsilylethyl) (2R)-2-(sulfanylmethyl)butanedioate
CID 159236421
ethyl 5-[2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbonyl]oxyethyl]-1,2,4-oxadiazole-3-carboxylate
CID 69071589
2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid
CID 175824202
2-[[7-(2-bromoethyl)-5-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane
CID 68842797
methyl (2S)-3-[3-fluoro-4-[5-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 153461678
2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane
CID 171770081
4-O-tert-butyl 1-O-methyl (2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)methyl]butanedioate
CID 159416529

Frequently Asked Questions

What is the IUPAC name of 4-O-tert-butyl 1-O-methyl 2-[[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]methyl]butanedioate?
The IUPAC name of 4-O-tert-butyl 1-O-methyl 2-[[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]methyl]butanedioate (CID 69072989) is 4-O-tert-butyl 1-O-methyl 2-[[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]methyl]butanedioate.
What is the SMILES notation for 4-O-tert-butyl 1-O-methyl 2-[[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]methyl]butanedioate?
The canonical SMILES for 4-O-tert-butyl 1-O-methyl 2-[[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]methyl]butanedioate is COC(=O)C(CC(=O)OC(C)(C)C)Cc1cc(C)c2nn(COCC[Si](C)(C)C)cc2c1.
What is the InChIKey of 4-O-tert-butyl 1-O-methyl 2-[[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]methyl]butanedioate?
The InChIKey is RDFXVYXHPBYCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O5Si/c1-17-11-18(12-19(23(28)29-5)14-21(27)31-24(2,3)4)13-20-15-26(25-22(17)20)16-30-9-10-32(6,7)8/h11,13,15,19H,9-10,12,14,16H2,1-8H3.
What are the key properties of 4-O-tert-butyl 1-O-methyl 2-[[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]methyl]butanedioate?
4-O-tert-butyl 1-O-methyl 2-[[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]methyl]butanedioate has a molecular weight of 462.66 g/mol, XLogP of 4.72, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-tert-butyl 1-O-methyl 2-[[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]methyl]butanedioate is sourced from PubChem (CID 69072989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).