6-(4,4-difluoropiperidin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid

C12H12F2N4O2 — CID 169016624

IUPAC6-(4,4-difluoropiperidin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2nc(N3CCC(F)(F)CC3)ccc12
InChIInChI=1S/C12H12F2N4O2/c13-12(14)3-5-18(6-4-12)8-2-1-7-9(11(19)20)16-17-10(7)15-8/h1-2H,3-6H2,(H,19,20)(H,15,16,17)
InChIKeyPBRZUARBCAQGIL-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.89
Rot. Bonds2

About 6-(4,4-difluoropiperidin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid

6-(4,4-difluoropiperidin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid (PubChem CID 169016624) has the molecular formula C12H12F2N4O2 and a molecular weight of 282.25 g/mol. Its IUPAC name is 6-(4,4-difluoropiperidin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4,4-difluoropiperidin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
PubChem CID169016624
Molecular FormulaC12H12F2N4O2
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name6-(4,4-difluoropiperidin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2nc(N3CCC(F)(F)CC3)ccc12
InChIInChI=1S/C12H12F2N4O2/c13-12(14)3-5-18(6-4-12)8-2-1-7-9(11(19)20)16-17-10(7)15-8/h1-2H,3-6H2,(H,19,20)(H,15,16,17)
InChIKeyPBRZUARBCAQGIL-UHFFFAOYSA-N
XLogP1.89
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid (CID 169016624) is 6-(4,4-difluoropiperidin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4,4-difluoropiperidin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4,4-difluoropiperidin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid is O=C(O)c1[nH]nc2nc(N3CCC(F)(F)CC3)ccc12.
What is the InChIKey of 6-(4,4-difluoropiperidin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
The InChIKey is PBRZUARBCAQGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2/c13-12(14)3-5-18(6-4-12)8-2-1-7-9(11(19)20)16-17-10(7)15-8/h1-2H,3-6H2,(H,19,20)(H,15,16,17).
What are the key properties of 6-(4,4-difluoropiperidin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
6-(4,4-difluoropiperidin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid has a molecular weight of 282.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluoropiperidin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 169016624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).