3-methyl-1-(oxan-2-yl)-4H-pyrazolo[4,5-b]pyridin-5-one

C12H15N3O2 — CID 166835778

IUPAC3-methyl-1-(oxan-2-yl)-4H-pyrazolo[4,5-b]pyridin-5-one
SMILESCc1nn(C2CCCCO2)c2ccc(=O)[nH]c12
InChIInChI=1S/C12H15N3O2/c1-8-12-9(5-6-10(16)13-12)15(14-8)11-4-2-3-7-17-11/h5-6,11H,2-4,7H2,1H3,(H,13,16)
InChIKeyCOCLQBBMMJGRSA-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.73
Rot. Bonds1

About 3-methyl-1-(oxan-2-yl)-4H-pyrazolo[4,5-b]pyridin-5-one

3-methyl-1-(oxan-2-yl)-4H-pyrazolo[4,5-b]pyridin-5-one (PubChem CID 166835778) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-methyl-1-(oxan-2-yl)-4H-pyrazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name3-methyl-1-(oxan-2-yl)-4H-pyrazolo[4,5-b]pyridin-5-one
PubChem CID166835778
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-methyl-1-(oxan-2-yl)-4H-pyrazolo[4,5-b]pyridin-5-one
SMILESCc1nn(C2CCCCO2)c2ccc(=O)[nH]c12
InChIInChI=1S/C12H15N3O2/c1-8-12-9(5-6-10(16)13-12)15(14-8)11-4-2-3-7-17-11/h5-6,11H,2-4,7H2,1H3,(H,13,16)
InChIKeyCOCLQBBMMJGRSA-UHFFFAOYSA-N
XLogP1.73
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-2-yl)-4H-pyrazolo[4,5-b]pyridin-5-one?
The IUPAC name of 3-methyl-1-(oxan-2-yl)-4H-pyrazolo[4,5-b]pyridin-5-one (CID 166835778) is 3-methyl-1-(oxan-2-yl)-4H-pyrazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 3-methyl-1-(oxan-2-yl)-4H-pyrazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 3-methyl-1-(oxan-2-yl)-4H-pyrazolo[4,5-b]pyridin-5-one is Cc1nn(C2CCCCO2)c2ccc(=O)[nH]c12.
What is the InChIKey of 3-methyl-1-(oxan-2-yl)-4H-pyrazolo[4,5-b]pyridin-5-one?
The InChIKey is COCLQBBMMJGRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-12-9(5-6-10(16)13-12)15(14-8)11-4-2-3-7-17-11/h5-6,11H,2-4,7H2,1H3,(H,13,16).
What are the key properties of 3-methyl-1-(oxan-2-yl)-4H-pyrazolo[4,5-b]pyridin-5-one?
3-methyl-1-(oxan-2-yl)-4H-pyrazolo[4,5-b]pyridin-5-one has a molecular weight of 233.27 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-2-yl)-4H-pyrazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 166835778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).