3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-indazol-6-one

C24H34N4O2Si — CID 158465034

IUPAC3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-indazol-6-one
SMILESCN1CCN(c2ccc(-c3nn(COCC[Si](C)(C)C)c4c3=CCC(=O)C=4)cc2)CC1
InChIInChI=1S/C24H34N4O2Si/c1-26-11-13-27(14-12-26)20-7-5-19(6-8-20)24-22-10-9-21(29)17-23(22)28(25-24)18-30-15-16-31(2,3)4/h5-8,10,17H,9,11-16,18H2,1-4H3
InChIKeyHFQOKCBFUUJAPD-UHFFFAOYSA-N
MW438.65 g/mol
LogP2.15
Rot. Bonds7

About 3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-indazol-6-one

3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-indazol-6-one (PubChem CID 158465034) has the molecular formula C24H34N4O2Si and a molecular weight of 438.65 g/mol. Its IUPAC name is 3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-indazol-6-one.

Molecular Properties

Compound Name3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-indazol-6-one
PubChem CID158465034
Molecular FormulaC24H34N4O2Si
Molecular Weight438.65 g/mol
Exact Mass438.25
IUPAC Name3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-indazol-6-one
SMILESCN1CCN(c2ccc(-c3nn(COCC[Si](C)(C)C)c4c3=CCC(=O)C=4)cc2)CC1
InChIInChI=1S/C24H34N4O2Si/c1-26-11-13-27(14-12-26)20-7-5-19(6-8-20)24-22-10-9-21(29)17-23(22)28(25-24)18-30-15-16-31(2,3)4/h5-8,10,17H,9,11-16,18H2,1-4H3
InChIKeyHFQOKCBFUUJAPD-UHFFFAOYSA-N
XLogP2.15
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.65
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-6-one
CID 140850879
trimethyl-[2-[[5-(4-pyrrolidin-1-ylphenyl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-3-yl]methoxy]ethyl]silane
CID 86699248
4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]cyclohexa-2,4-dien-1-yl]-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-one
CID 70649153
4-[5-cyclopropyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]aniline
CID 169122111
4-methoxy-3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-amine
CID 169305279
3-(chloromethyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyridin-2-one
CID 21404587
methyl 3-(4-bromophenyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 71267034
2-[[3-(6-fluoro-3-pyridinyl)-6-[(4-methylpiperazin-1-yl)methyl]-4H-indeno[2,1-d]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 69201902
2,4-difluoro-3-[1-[6-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]aniline
CID 164594054
2-[[3-(3-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
CID 175867784
5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1H-pyridin-2-one
CID 90391087
2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid
CID 175824202

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-indazol-6-one?
The IUPAC name of 3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-indazol-6-one (CID 158465034) is 3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-indazol-6-one.
What is the SMILES notation for 3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-indazol-6-one?
The canonical SMILES for 3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-indazol-6-one is CN1CCN(c2ccc(-c3nn(COCC[Si](C)(C)C)c4c3=CCC(=O)C=4)cc2)CC1.
What is the InChIKey of 3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-indazol-6-one?
The InChIKey is HFQOKCBFUUJAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2Si/c1-26-11-13-27(14-12-26)20-7-5-19(6-8-20)24-22-10-9-21(29)17-23(22)28(25-24)18-30-15-16-31(2,3)4/h5-8,10,17H,9,11-16,18H2,1-4H3.
What are the key properties of 3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-indazol-6-one?
3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-indazol-6-one has a molecular weight of 438.65 g/mol, XLogP of 2.15, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-indazol-6-one is sourced from PubChem (CID 158465034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).