1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridin-4-one

C16H17N5O2 — CID 58216666

IUPAC1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridin-4-one
SMILESO=C1CC(Cc2ncccn2)=Nc2c1cnn2C1CCOCC1
InChIInChI=1S/C16H17N5O2/c22-14-8-11(9-15-17-4-1-5-18-15)20-16-13(14)10-19-21(16)12-2-6-23-7-3-12/h1,4-5,10,12H,2-3,6-9H2
InChIKeyKGGMYCPUQQOOBS-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.93
Rot. Bonds3

About 1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridin-4-one

1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 58216666) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID58216666
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridin-4-one
SMILESO=C1CC(Cc2ncccn2)=Nc2c1cnn2C1CCOCC1
InChIInChI=1S/C16H17N5O2/c22-14-8-11(9-15-17-4-1-5-18-15)20-16-13(14)10-19-21(16)12-2-6-23-7-3-12/h1,4-5,10,12H,2-3,6-9H2
InChIKeyKGGMYCPUQQOOBS-UHFFFAOYSA-N
XLogP1.93
TPSA82.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-methylidene-1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridine
CID 58369142
1-(1-Methylpyrazol-4-yl)-2-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanone
CID 75472985
1-(1-methylpyrazol-4-yl)-2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanone
CID 97340644
1-(1-methylpyrazol-4-yl)-2-[(2S)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanone
CID 97340645
(9-Methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-pyrazolo[1,5-a]pyrimidin-6-ylmethanone
CID 171945605
(9-Methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 171945630

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridin-4-one (CID 58216666) is 1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridin-4-one is O=C1CC(Cc2ncccn2)=Nc2c1cnn2C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is KGGMYCPUQQOOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c22-14-8-11(9-15-17-4-1-5-18-15)20-16-13(14)10-19-21(16)12-2-6-23-7-3-12/h1,4-5,10,12H,2-3,6-9H2.
What are the key properties of 1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridin-4-one?
1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 311.35 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 58216666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).