2-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidine-4-carboxylic acid

C11H13N5O2 — CID 82384027

IUPAC2-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCNC(c2ncc3cn[nH]c3n2)C1
InChIInChI=1S/C11H13N5O2/c17-11(18)6-1-2-12-8(3-6)10-13-4-7-5-14-16-9(7)15-10/h4-6,8,12H,1-3H2,(H,17,18)(H,13,14,15,16)
InChIKeyQZSJMDPLXVJARI-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.48
Rot. Bonds2

About 2-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidine-4-carboxylic acid

2-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidine-4-carboxylic acid (PubChem CID 82384027) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidine-4-carboxylic acid
PubChem CID82384027
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCNC(c2ncc3cn[nH]c3n2)C1
InChIInChI=1S/C11H13N5O2/c17-11(18)6-1-2-12-8(3-6)10-13-4-7-5-14-16-9(7)15-10/h4-6,8,12H,1-3H2,(H,17,18)(H,13,14,15,16)
InChIKeyQZSJMDPLXVJARI-UHFFFAOYSA-N
XLogP0.48
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidine-4-carboxylic acid?
The IUPAC name of 2-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidine-4-carboxylic acid (CID 82384027) is 2-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidine-4-carboxylic acid is O=C(O)C1CCNC(c2ncc3cn[nH]c3n2)C1.
What is the InChIKey of 2-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidine-4-carboxylic acid?
The InChIKey is QZSJMDPLXVJARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c17-11(18)6-1-2-12-8(3-6)10-13-4-7-5-14-16-9(7)15-10/h4-6,8,12H,1-3H2,(H,17,18)(H,13,14,15,16).
What are the key properties of 2-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidine-4-carboxylic acid?
2-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidine-4-carboxylic acid has a molecular weight of 247.26 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 82384027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).