4-ethoxy-1-(oxan-4-yl)pyrazolo[4,5-c]pyridine-6-carbonitrile

C14H16N4O2 — CID 175944895

IUPAC4-ethoxy-1-(oxan-4-yl)pyrazolo[4,5-c]pyridine-6-carbonitrile
SMILESCCOc1nc(C#N)cc2c1cnn2C1CCOCC1
InChIInChI=1S/C14H16N4O2/c1-2-20-14-12-9-16-18(11-3-5-19-6-4-11)13(12)7-10(8-15)17-14/h7,9,11H,2-6H2,1H3
InChIKeyIKEWTBGOFWUFEW-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.05
Rot. Bonds3

About 4-ethoxy-1-(oxan-4-yl)pyrazolo[4,5-c]pyridine-6-carbonitrile

4-ethoxy-1-(oxan-4-yl)pyrazolo[4,5-c]pyridine-6-carbonitrile (PubChem CID 175944895) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-ethoxy-1-(oxan-4-yl)pyrazolo[4,5-c]pyridine-6-carbonitrile.

Molecular Properties

Compound Name4-ethoxy-1-(oxan-4-yl)pyrazolo[4,5-c]pyridine-6-carbonitrile
PubChem CID175944895
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-ethoxy-1-(oxan-4-yl)pyrazolo[4,5-c]pyridine-6-carbonitrile
SMILESCCOc1nc(C#N)cc2c1cnn2C1CCOCC1
InChIInChI=1S/C14H16N4O2/c1-2-20-14-12-9-16-18(11-3-5-19-6-4-11)13(12)7-10(8-15)17-14/h7,9,11H,2-6H2,1H3
InChIKeyIKEWTBGOFWUFEW-UHFFFAOYSA-N
XLogP2.05
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 25072002
4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine
CID 46898099
4-Ethoxy-3-methyl-1h-pyrazolo[4,3-c]pyridine
CID 46912641
3-methyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine
CID 59618824
3-methyl-4-propan-2-yloxy-2H-pyrazolo[4,3-c]pyridine
CID 59618947
6-(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)pyridine-3-carbonitrile
CID 53392102
3-methyl-4-(1-methylpiperidin-4-yl)oxy-2H-pyrazolo[4,3-c]pyridine
CID 59619113
4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-2-carbonitrile
CID 68069658
2-[3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]acetonitrile
CID 71007775
5-fluoro-6-(2-((2-(1-methyl-1H-pyrazol-5-yl)pyridin-4-yl)oxy)ethoxy) nicotinonitrile
CID 138486728
6-(2-((2-(2-cyclopropyl-1H-imidazol-1-yl)pyridin-4-yl)oxy)ethoxy)-5-fluoronicotinonitrile
CID 156345480
6-Chloro-4-ethoxy-2-(oxan-4-yl)pyrazolo[4,3-c]pyridine
CID 175944886

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(oxan-4-yl)pyrazolo[4,5-c]pyridine-6-carbonitrile?
The IUPAC name of 4-ethoxy-1-(oxan-4-yl)pyrazolo[4,5-c]pyridine-6-carbonitrile (CID 175944895) is 4-ethoxy-1-(oxan-4-yl)pyrazolo[4,5-c]pyridine-6-carbonitrile.
What is the SMILES notation for 4-ethoxy-1-(oxan-4-yl)pyrazolo[4,5-c]pyridine-6-carbonitrile?
The canonical SMILES for 4-ethoxy-1-(oxan-4-yl)pyrazolo[4,5-c]pyridine-6-carbonitrile is CCOc1nc(C#N)cc2c1cnn2C1CCOCC1.
What is the InChIKey of 4-ethoxy-1-(oxan-4-yl)pyrazolo[4,5-c]pyridine-6-carbonitrile?
The InChIKey is IKEWTBGOFWUFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-20-14-12-9-16-18(11-3-5-19-6-4-11)13(12)7-10(8-15)17-14/h7,9,11H,2-6H2,1H3.
What are the key properties of 4-ethoxy-1-(oxan-4-yl)pyrazolo[4,5-c]pyridine-6-carbonitrile?
4-ethoxy-1-(oxan-4-yl)pyrazolo[4,5-c]pyridine-6-carbonitrile has a molecular weight of 272.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(oxan-4-yl)pyrazolo[4,5-c]pyridine-6-carbonitrile is sourced from PubChem (CID 175944895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).