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

C17H19N5O — CID 58369142

IUPAC4-methylidene-1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridine
SMILESC=C1CC(Cc2ncccn2)=Nc2c1cnn2C1CCOCC1
InChIInChI=1S/C17H19N5O/c1-12-9-13(10-16-18-5-2-6-19-16)21-17-15(12)11-20-22(17)14-3-7-23-8-4-14/h2,5-6,11,14H,1,3-4,7-10H2
InChIKeyVCUAEUHOSRCDCG-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.76
Rot. Bonds3

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

4-methylidene-1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridine (PubChem CID 58369142) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-methylidene-1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-methylidene-1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridine
PubChem CID58369142
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name4-methylidene-1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridine
SMILESC=C1CC(Cc2ncccn2)=Nc2c1cnn2C1CCOCC1
InChIInChI=1S/C17H19N5O/c1-12-9-13(10-16-18-5-2-6-19-16)21-17-15(12)11-20-22(17)14-3-7-23-8-4-14/h2,5-6,11,14H,1,3-4,7-10H2
InChIKeyVCUAEUHOSRCDCG-UHFFFAOYSA-N
XLogP2.76
TPSA65.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridin-4-one
CID 58216666
3-(Oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103181
3-(Oxan-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103223

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridine?
The IUPAC name of 4-methylidene-1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridine (CID 58369142) is 4-methylidene-1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4-methylidene-1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridine?
The canonical SMILES for 4-methylidene-1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridine is C=C1CC(Cc2ncccn2)=Nc2c1cnn2C1CCOCC1.
What is the InChIKey of 4-methylidene-1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridine?
The InChIKey is VCUAEUHOSRCDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12-9-13(10-16-18-5-2-6-19-16)21-17-15(12)11-20-22(17)14-3-7-23-8-4-14/h2,5-6,11,14H,1,3-4,7-10H2.
What are the key properties of 4-methylidene-1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridine?
4-methylidene-1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridine has a molecular weight of 309.37 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 58369142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).