5-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyridine-6-carbonitrile

C15H21N3O2Si — CID 131748591

IUPAC5-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyridine-6-carbonitrile
SMILESCc1cc2ccn(COCC[Si](C)(C)C)n2c(=O)c1C#N
InChIInChI=1S/C15H21N3O2Si/c1-12-9-13-5-6-17(11-20-7-8-21(2,3)4)18(13)15(19)14(12)10-16/h5-6,9H,7-8,11H2,1-4H3
InChIKeyZFPVSJLSJVPNSM-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.59
Rot. Bonds5

About 5-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyridine-6-carbonitrile

5-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyridine-6-carbonitrile (PubChem CID 131748591) has the molecular formula C15H21N3O2Si and a molecular weight of 303.44 g/mol. Its IUPAC name is 5-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name5-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyridine-6-carbonitrile
PubChem CID131748591
Molecular FormulaC15H21N3O2Si
Molecular Weight303.44 g/mol
Exact Mass303.14
IUPAC Name5-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyridine-6-carbonitrile
SMILESCc1cc2ccn(COCC[Si](C)(C)C)n2c(=O)c1C#N
InChIInChI=1S/C15H21N3O2Si/c1-12-9-13-5-6-17(11-20-7-8-21(2,3)4)18(13)15(19)14(12)10-16/h5-6,9H,7-8,11H2,1-4H3
InChIKeyZFPVSJLSJVPNSM-UHFFFAOYSA-N
XLogP2.59
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.59
H-Bond Donors ≤ 50
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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Related Compounds

3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile
CID 172806040
4-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
CID 166524443
1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 58243790
4-oxo-5-(3-phenoxypropyl)-6-phenyl-3-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 68845627
3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile
CID 135086401
1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 139051000
1-[2-(4-methoxyphenoxy)ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 82124655
1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde
CID 91103274
4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile
CID 46895438
2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 70196598
1-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]butyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 172640949
[5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid
CID 22343067

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyridine-6-carbonitrile?
The IUPAC name of 5-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyridine-6-carbonitrile (CID 131748591) is 5-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyridine-6-carbonitrile.
What is the SMILES notation for 5-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyridine-6-carbonitrile?
The canonical SMILES for 5-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyridine-6-carbonitrile is Cc1cc2ccn(COCC[Si](C)(C)C)n2c(=O)c1C#N.
What is the InChIKey of 5-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyridine-6-carbonitrile?
The InChIKey is ZFPVSJLSJVPNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2Si/c1-12-9-13-5-6-17(11-20-7-8-21(2,3)4)18(13)15(19)14(12)10-16/h5-6,9H,7-8,11H2,1-4H3.
What are the key properties of 5-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyridine-6-carbonitrile?
5-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyridine-6-carbonitrile has a molecular weight of 303.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyridine-6-carbonitrile is sourced from PubChem (CID 131748591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).