1-ethyl-7-hydroxy-3-methyl-4H-pyrazolo[4,5-b]pyridin-5-one

C9H11N3O2 — CID 140830751

IUPAC1-ethyl-7-hydroxy-3-methyl-4H-pyrazolo[4,5-b]pyridin-5-one
SMILESCCn1nc(C)c2[nH]c(=O)cc(O)c21
InChIInChI=1S/C9H11N3O2/c1-3-12-9-6(13)4-7(14)10-8(9)5(2)11-12/h4H,3H2,1-2H3,(H2,10,13,14)
InChIKeyXDWUWIAOIMNIEC-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.76
Rot. Bonds1

About 1-ethyl-7-hydroxy-3-methyl-4H-pyrazolo[4,5-b]pyridin-5-one

1-ethyl-7-hydroxy-3-methyl-4H-pyrazolo[4,5-b]pyridin-5-one (PubChem CID 140830751) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-ethyl-7-hydroxy-3-methyl-4H-pyrazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name1-ethyl-7-hydroxy-3-methyl-4H-pyrazolo[4,5-b]pyridin-5-one
PubChem CID140830751
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-ethyl-7-hydroxy-3-methyl-4H-pyrazolo[4,5-b]pyridin-5-one
SMILESCCn1nc(C)c2[nH]c(=O)cc(O)c21
InChIInChI=1S/C9H11N3O2/c1-3-12-9-6(13)4-7(14)10-8(9)5(2)11-12/h4H,3H2,1-2H3,(H2,10,13,14)
InChIKeyXDWUWIAOIMNIEC-UHFFFAOYSA-N
XLogP0.76
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-hydroxy-3-methyl-4H-pyrazolo[4,5-b]pyridin-5-one?
The IUPAC name of 1-ethyl-7-hydroxy-3-methyl-4H-pyrazolo[4,5-b]pyridin-5-one (CID 140830751) is 1-ethyl-7-hydroxy-3-methyl-4H-pyrazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 1-ethyl-7-hydroxy-3-methyl-4H-pyrazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 1-ethyl-7-hydroxy-3-methyl-4H-pyrazolo[4,5-b]pyridin-5-one is CCn1nc(C)c2[nH]c(=O)cc(O)c21.
What is the InChIKey of 1-ethyl-7-hydroxy-3-methyl-4H-pyrazolo[4,5-b]pyridin-5-one?
The InChIKey is XDWUWIAOIMNIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-3-12-9-6(13)4-7(14)10-8(9)5(2)11-12/h4H,3H2,1-2H3,(H2,10,13,14).
What are the key properties of 1-ethyl-7-hydroxy-3-methyl-4H-pyrazolo[4,5-b]pyridin-5-one?
1-ethyl-7-hydroxy-3-methyl-4H-pyrazolo[4,5-b]pyridin-5-one has a molecular weight of 193.21 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-hydroxy-3-methyl-4H-pyrazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 140830751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).