4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile

C18H26N4O3Si — CID 168825139

IUPAC4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
SMILESCC1(C)OCC(c2ccnc3c2c(C#N)nn3COCC[Si](C)(C)C)O1
InChIInChI=1S/C18H26N4O3Si/c1-18(2)24-11-15(25-18)13-6-7-20-17-16(13)14(10-19)21-22(17)12-23-8-9-26(3,4)5/h6-7,15H,8-9,11-12H2,1-5H3
InChIKeyCFKNYRVSGQZZCN-UHFFFAOYSA-N
MW374.52 g/mol
LogP3.44
Rot. Bonds6

About 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile

4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile (PubChem CID 168825139) has the molecular formula C18H26N4O3Si and a molecular weight of 374.52 g/mol. Its IUPAC name is 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
PubChem CID168825139
Molecular FormulaC18H26N4O3Si
Molecular Weight374.52 g/mol
Exact Mass374.18
IUPAC Name4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
SMILESCC1(C)OCC(c2ccnc3c2c(C#N)nn3COCC[Si](C)(C)C)O1
InChIInChI=1S/C18H26N4O3Si/c1-18(2)24-11-15(25-18)13-6-7-20-17-16(13)14(10-19)21-22(17)12-23-8-9-26(3,4)5/h6-7,15H,8-9,11-12H2,1-5H3
InChIKeyCFKNYRVSGQZZCN-UHFFFAOYSA-N
XLogP3.44
TPSA82.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile (CID 168825139) is 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile is CC1(C)OCC(c2ccnc3c2c(C#N)nn3COCC[Si](C)(C)C)O1.
What is the InChIKey of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile?
The InChIKey is CFKNYRVSGQZZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3Si/c1-18(2)24-11-15(25-18)13-6-7-20-17-16(13)14(10-19)21-22(17)12-23-8-9-26(3,4)5/h6-7,15H,8-9,11-12H2,1-5H3.
What are the key properties of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile?
4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile has a molecular weight of 374.52 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile is sourced from PubChem (CID 168825139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).