3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene

C16H20N4O — CID 141348346

IUPAC3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESCCn1ncc2cc(C3=NOC4(CCCCC4)C3)cnc21
InChIInChI=1S/C16H20N4O/c1-2-20-15-13(11-18-20)8-12(10-17-15)14-9-16(21-19-14)6-4-3-5-7-16/h8,10-11H,2-7,9H2,1H3
InChIKeyUEVWCJPCIJFDOD-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.28
Rot. Bonds2

About 3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene

3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene (PubChem CID 141348346) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene
PubChem CID141348346
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESCCn1ncc2cc(C3=NOC4(CCCCC4)C3)cnc21
InChIInChI=1S/C16H20N4O/c1-2-20-15-13(11-18-20)8-12(10-17-15)14-9-16(21-19-14)6-4-3-5-7-16/h8,10-11H,2-7,9H2,1H3
InChIKeyUEVWCJPCIJFDOD-UHFFFAOYSA-N
XLogP3.28
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene?
The IUPAC name of 3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene (CID 141348346) is 3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene is CCn1ncc2cc(C3=NOC4(CCCCC4)C3)cnc21.
What is the InChIKey of 3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene?
The InChIKey is UEVWCJPCIJFDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-20-15-13(11-18-20)8-12(10-17-15)14-9-16(21-19-14)6-4-3-5-7-16/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene?
3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene has a molecular weight of 284.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 141348346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).