5-(2,2-difluoroethyl)-7-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]quinolin-4-one

C23H26F2N4O2Si — CID 86679800

IUPAC5-(2,2-difluoroethyl)-7-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]quinolin-4-one
SMILESC[Si](C)(C)CCOCn1ncc2c(=O)n(CC(F)F)c3cc(-c4ccncc4)ccc3c21
InChIInChI=1S/C23H26F2N4O2Si/c1-32(2,3)11-10-31-15-29-22-18-5-4-17(16-6-8-26-9-7-16)12-20(18)28(14-21(24)25)23(30)19(22)13-27-29/h4-9,12-13,21H,10-11,14-15H2,1-3H3
InChIKeyOOBGMDYTPOUDLZ-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.99
Rot. Bonds8

About 5-(2,2-difluoroethyl)-7-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]quinolin-4-one

5-(2,2-difluoroethyl)-7-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]quinolin-4-one (PubChem CID 86679800) has the molecular formula C23H26F2N4O2Si and a molecular weight of 456.57 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-7-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-7-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]quinolin-4-one
PubChem CID86679800
Molecular FormulaC23H26F2N4O2Si
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Name5-(2,2-difluoroethyl)-7-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]quinolin-4-one
SMILESC[Si](C)(C)CCOCn1ncc2c(=O)n(CC(F)F)c3cc(-c4ccncc4)ccc3c21
InChIInChI=1S/C23H26F2N4O2Si/c1-32(2,3)11-10-31-15-29-22-18-5-4-17(16-6-8-26-9-7-16)12-20(18)28(14-21(24)25)23(30)19(22)13-27-29/h4-9,12-13,21H,10-11,14-15H2,1-3H3
InChIKeyOOBGMDYTPOUDLZ-UHFFFAOYSA-N
XLogP4.99
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.99
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

trimethyl-[2-[(6-phenylindazol-1-yl)methoxy]ethyl]silane
CID 141183525
2-[[7-fluoro-4-[(2R)-oxiran-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 165175428
trimethyl-[2-(pyrazolo[5,4-c]pyridin-1-ylmethoxy)ethyl]silane
CID 154005449
4-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde
CID 86651955
(1R)-1-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]ethane-1,2-diol
CID 165175424
trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
CID 68672964
5-(1-hydroxypropan-2-yl)-2-(2-trimethylsilylethoxymethyl)phthalazin-1-one
CID 170983030
1-(2-phenylmethoxyethyl)-6-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyridazine-2,5-dione
CID 167442811
5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde
CID 164900212
(1R)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridin-7-yl]ethanamine
CID 178027402
2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 174041088
7-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-5,9b-dihydro-1H-pyrazolo[4,3-c]quinolin-4-one
CID 89454235

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)-7-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 5-(2,2-difluoroethyl)-7-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]quinolin-4-one (CID 86679800) is 5-(2,2-difluoroethyl)-7-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 5-(2,2-difluoroethyl)-7-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 5-(2,2-difluoroethyl)-7-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]quinolin-4-one is C[Si](C)(C)CCOCn1ncc2c(=O)n(CC(F)F)c3cc(-c4ccncc4)ccc3c21.
What is the InChIKey of 5-(2,2-difluoroethyl)-7-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is OOBGMDYTPOUDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O2Si/c1-32(2,3)11-10-31-15-29-22-18-5-4-17(16-6-8-26-9-7-16)12-20(18)28(14-21(24)25)23(30)19(22)13-27-29/h4-9,12-13,21H,10-11,14-15H2,1-3H3.
What are the key properties of 5-(2,2-difluoroethyl)-7-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]quinolin-4-one?
5-(2,2-difluoroethyl)-7-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 456.57 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)-7-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 86679800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).