7-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-5,9b-dihydro-1H-pyrazolo[4,3-c]quinolin-4-one

C21H26N4O2Si — CID 89454235

IUPAC7-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-5,9b-dihydro-1H-pyrazolo[4,3-c]quinolin-4-one
SMILESC[Si](C)(C)CCOCN1C=C2C(=O)Nc3cc(-c4ccncc4)ccc3C2N1
InChIInChI=1S/C21H26N4O2Si/c1-28(2,3)11-10-27-14-25-13-18-20(24-25)17-5-4-16(12-19(17)23-21(18)26)15-6-8-22-9-7-15/h4-9,12-13,20,24H,10-11,14H2,1-3H3,(H,23,26)
InChIKeyOUOWRIBYQNXQHA-UHFFFAOYSA-N
MW394.55 g/mol
LogP3.76
Rot. Bonds6

About 7-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-5,9b-dihydro-1H-pyrazolo[4,3-c]quinolin-4-one

7-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-5,9b-dihydro-1H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 89454235) has the molecular formula C21H26N4O2Si and a molecular weight of 394.55 g/mol. Its IUPAC name is 7-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-5,9b-dihydro-1H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name7-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-5,9b-dihydro-1H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID89454235
Molecular FormulaC21H26N4O2Si
Molecular Weight394.55 g/mol
Exact Mass394.18
IUPAC Name7-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-5,9b-dihydro-1H-pyrazolo[4,3-c]quinolin-4-one
SMILESC[Si](C)(C)CCOCN1C=C2C(=O)Nc3cc(-c4ccncc4)ccc3C2N1
InChIInChI=1S/C21H26N4O2Si/c1-28(2,3)11-10-27-14-25-13-18-20(24-25)17-5-4-16(12-19(17)23-21(18)26)15-6-8-22-9-7-15/h4-9,12-13,20,24H,10-11,14H2,1-3H3,(H,23,26)
InChIKeyOUOWRIBYQNXQHA-UHFFFAOYSA-N
XLogP3.76
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.55
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-5,9b-dihydro-1H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 7-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-5,9b-dihydro-1H-pyrazolo[4,3-c]quinolin-4-one (CID 89454235) is 7-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-5,9b-dihydro-1H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 7-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-5,9b-dihydro-1H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 7-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-5,9b-dihydro-1H-pyrazolo[4,3-c]quinolin-4-one is C[Si](C)(C)CCOCN1C=C2C(=O)Nc3cc(-c4ccncc4)ccc3C2N1.
What is the InChIKey of 7-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-5,9b-dihydro-1H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is OUOWRIBYQNXQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2Si/c1-28(2,3)11-10-27-14-25-13-18-20(24-25)17-5-4-16(12-19(17)23-21(18)26)15-6-8-22-9-7-15/h4-9,12-13,20,24H,10-11,14H2,1-3H3,(H,23,26).
What are the key properties of 7-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-5,9b-dihydro-1H-pyrazolo[4,3-c]quinolin-4-one?
7-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-5,9b-dihydro-1H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 394.55 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-5,9b-dihydro-1H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 89454235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).