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

C12H15N3O3 — CID 162421514

IUPAC7-hydroxy-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
SMILESCn1c(=O)cc(O)c2nn(C3CCCCO3)cc21
InChIInChI=1S/C12H15N3O3/c1-14-8-7-15(11-4-2-3-5-18-11)13-12(8)9(16)6-10(14)17/h6-7,11,16H,2-5H2,1H3
InChIKeyOGGNQMHFMGKLQR-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.14
Rot. Bonds1

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

7-hydroxy-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one (PubChem CID 162421514) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name7-hydroxy-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
PubChem CID162421514
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name7-hydroxy-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
SMILESCn1c(=O)cc(O)c2nn(C3CCCCO3)cc21
InChIInChI=1S/C12H15N3O3/c1-14-8-7-15(11-4-2-3-5-18-11)13-12(8)9(16)6-10(14)17/h6-7,11,16H,2-5H2,1H3
InChIKeyOGGNQMHFMGKLQR-UHFFFAOYSA-N
XLogP1.14
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
The IUPAC name of 7-hydroxy-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one (CID 162421514) is 7-hydroxy-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one.
What is the SMILES notation for 7-hydroxy-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
The canonical SMILES for 7-hydroxy-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one is Cn1c(=O)cc(O)c2nn(C3CCCCO3)cc21.
What is the InChIKey of 7-hydroxy-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
The InChIKey is OGGNQMHFMGKLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-14-8-7-15(11-4-2-3-5-18-11)13-12(8)9(16)6-10(14)17/h6-7,11,16H,2-5H2,1H3.
What are the key properties of 7-hydroxy-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
7-hydroxy-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one has a molecular weight of 249.27 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one is sourced from PubChem (CID 162421514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).