4-ethyl-7-hydroxy-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one

C13H17N3O3 — CID 171480062

IUPAC4-ethyl-7-hydroxy-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
SMILESCCn1c(=O)cc(O)c2nn(C3CCCCO3)cc21
InChIInChI=1S/C13H17N3O3/c1-2-15-9-8-16(12-5-3-4-6-19-12)14-13(9)10(17)7-11(15)18/h7-8,12,17H,2-6H2,1H3
InChIKeyYUYUYDNLOYLWAI-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.62
Rot. Bonds2

About 4-ethyl-7-hydroxy-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one

4-ethyl-7-hydroxy-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one (PubChem CID 171480062) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-ethyl-7-hydroxy-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name4-ethyl-7-hydroxy-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
PubChem CID171480062
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-ethyl-7-hydroxy-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
SMILESCCn1c(=O)cc(O)c2nn(C3CCCCO3)cc21
InChIInChI=1S/C13H17N3O3/c1-2-15-9-8-16(12-5-3-4-6-19-12)14-13(9)10(17)7-11(15)18/h7-8,12,17H,2-6H2,1H3
InChIKeyYUYUYDNLOYLWAI-UHFFFAOYSA-N
XLogP1.62
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-hydroxy-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
The IUPAC name of 4-ethyl-7-hydroxy-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one (CID 171480062) is 4-ethyl-7-hydroxy-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one.
What is the SMILES notation for 4-ethyl-7-hydroxy-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
The canonical SMILES for 4-ethyl-7-hydroxy-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one is CCn1c(=O)cc(O)c2nn(C3CCCCO3)cc21.
What is the InChIKey of 4-ethyl-7-hydroxy-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
The InChIKey is YUYUYDNLOYLWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-15-9-8-16(12-5-3-4-6-19-12)14-13(9)10(17)7-11(15)18/h7-8,12,17H,2-6H2,1H3.
What are the key properties of 4-ethyl-7-hydroxy-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
4-ethyl-7-hydroxy-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one has a molecular weight of 263.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-hydroxy-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one is sourced from PubChem (CID 171480062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).