3-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]propanenitrile

C19H19FN6O — CID 67950011

IUPAC3-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]propanenitrile
SMILESN#CCCC1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCC1O
InChIInChI=1S/C19H19FN6O/c20-14-5-6-16(26-10-7-15(27)12(11-26)3-1-8-21)23-18(14)17-13-4-2-9-22-19(13)25-24-17/h2,4-6,9,12,15,27H,1,3,7,10-11H2,(H,22,24,25)
InChIKeyWGRABMVGFXSYMR-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.65
Rot. Bonds4

About 3-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]propanenitrile

3-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]propanenitrile (PubChem CID 67950011) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 3-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]propanenitrile.

Molecular Properties

Compound Name3-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]propanenitrile
PubChem CID67950011
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name3-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]propanenitrile
SMILESN#CCCC1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCC1O
InChIInChI=1S/C19H19FN6O/c20-14-5-6-16(26-10-7-15(27)12(11-26)3-1-8-21)23-18(14)17-13-4-2-9-22-19(13)25-24-17/h2,4-6,9,12,15,27H,1,3,7,10-11H2,(H,22,24,25)
InChIKeyWGRABMVGFXSYMR-UHFFFAOYSA-N
XLogP2.65
TPSA101.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]propanenitrile?
The IUPAC name of 3-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]propanenitrile (CID 67950011) is 3-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]propanenitrile.
What is the SMILES notation for 3-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]propanenitrile?
The canonical SMILES for 3-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]propanenitrile is N#CCCC1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCC1O.
What is the InChIKey of 3-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]propanenitrile?
The InChIKey is WGRABMVGFXSYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c20-14-5-6-16(26-10-7-15(27)12(11-26)3-1-8-21)23-18(14)17-13-4-2-9-22-19(13)25-24-17/h2,4-6,9,12,15,27H,1,3,7,10-11H2,(H,22,24,25).
What are the key properties of 3-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]propanenitrile?
3-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]propanenitrile has a molecular weight of 366.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]propanenitrile is sourced from PubChem (CID 67950011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).