3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-6-one

C23H33N5O2Si — CID 140850879

IUPAC3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-6-one
SMILESCN1CCN(c2ccc(-c3nn(COCC[Si](C)(C)C)c4cc(=O)[nH]cc34)cc2)CC1
InChIInChI=1S/C23H33N5O2Si/c1-26-9-11-27(12-10-26)19-7-5-18(6-8-19)23-20-16-24-22(29)15-21(20)28(25-23)17-30-13-14-31(2,3)4/h5-8,15-16H,9-14,17H2,1-4H3,(H,24,29)
InChIKeyGFRMPQIRHNMEBJ-UHFFFAOYSA-N
MW439.64 g/mol
LogP3.46
Rot. Bonds7

About 3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-6-one

3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-6-one (PubChem CID 140850879) has the molecular formula C23H33N5O2Si and a molecular weight of 439.64 g/mol. Its IUPAC name is 3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-6-one.

Molecular Properties

Compound Name3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-6-one
PubChem CID140850879
Molecular FormulaC23H33N5O2Si
Molecular Weight439.64 g/mol
Exact Mass439.24
IUPAC Name3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-6-one
SMILESCN1CCN(c2ccc(-c3nn(COCC[Si](C)(C)C)c4cc(=O)[nH]cc34)cc2)CC1
InChIInChI=1S/C23H33N5O2Si/c1-26-9-11-27(12-10-26)19-7-5-18(6-8-19)23-20-16-24-22(29)15-21(20)28(25-23)17-30-13-14-31(2,3)4/h5-8,15-16H,9-14,17H2,1-4H3,(H,24,29)
InChIKeyGFRMPQIRHNMEBJ-UHFFFAOYSA-N
XLogP3.46
TPSA66.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.64
LogP ≤ 53.46
H-Bond Donors ≤ 51
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-indazol-6-one
CID 158465034
5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1H-pyridin-2-one
CID 90391087
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
trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane
CID 22352427
trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
CID 68672964
trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane
CID 175982890
(3E)-5-methoxy-3-[[3-(6-morpholin-4-yl-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-2-one
CID 66734145
3-(chloromethyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyridin-2-one
CID 21404587
ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate
CID 90400955
2-[[6-bromo-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 174065746
trimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane
CID 168728003
bis[1-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]cyclopropyl]methanone
CID 169082859

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-6-one?
The IUPAC name of 3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-6-one (CID 140850879) is 3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-6-one.
What is the SMILES notation for 3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-6-one?
The canonical SMILES for 3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-6-one is CN1CCN(c2ccc(-c3nn(COCC[Si](C)(C)C)c4cc(=O)[nH]cc34)cc2)CC1.
What is the InChIKey of 3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-6-one?
The InChIKey is GFRMPQIRHNMEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2Si/c1-26-9-11-27(12-10-26)19-7-5-18(6-8-19)23-20-16-24-22(29)15-21(20)28(25-23)17-30-13-14-31(2,3)4/h5-8,15-16H,9-14,17H2,1-4H3,(H,24,29).
What are the key properties of 3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-6-one?
3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-6-one has a molecular weight of 439.64 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 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-pyrazolo[4,3-c]pyridin-6-one is sourced from PubChem (CID 140850879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).