2-morpholin-4-yl-2-piperidin-1-yl-2-pyrazolo[3,4-d]pyrimidin-1-ylacetic acid

C16H22N6O3 — CID 69279734

IUPAC2-morpholin-4-yl-2-piperidin-1-yl-2-pyrazolo[3,4-d]pyrimidin-1-ylacetic acid
SMILESO=C(O)C(N1CCCCC1)(N1CCOCC1)n1ncc2cncnc21
InChIInChI=1S/C16H22N6O3/c23-15(24)16(20-4-2-1-3-5-20,21-6-8-25-9-7-21)22-14-13(11-19-22)10-17-12-18-14/h10-12H,1-9H2,(H,23,24)
InChIKeyOQPXHDZCGAIZOD-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.34
Rot. Bonds4

About 2-morpholin-4-yl-2-piperidin-1-yl-2-pyrazolo[3,4-d]pyrimidin-1-ylacetic acid

2-morpholin-4-yl-2-piperidin-1-yl-2-pyrazolo[3,4-d]pyrimidin-1-ylacetic acid (PubChem CID 69279734) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-morpholin-4-yl-2-piperidin-1-yl-2-pyrazolo[3,4-d]pyrimidin-1-ylacetic acid.

Molecular Properties

Compound Name2-morpholin-4-yl-2-piperidin-1-yl-2-pyrazolo[3,4-d]pyrimidin-1-ylacetic acid
PubChem CID69279734
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name2-morpholin-4-yl-2-piperidin-1-yl-2-pyrazolo[3,4-d]pyrimidin-1-ylacetic acid
SMILESO=C(O)C(N1CCCCC1)(N1CCOCC1)n1ncc2cncnc21
InChIInChI=1S/C16H22N6O3/c23-15(24)16(20-4-2-1-3-5-20,21-6-8-25-9-7-21)22-14-13(11-19-22)10-17-12-18-14/h10-12H,1-9H2,(H,23,24)
InChIKeyOQPXHDZCGAIZOD-UHFFFAOYSA-N
XLogP0.34
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-2-piperidin-1-yl-2-pyrazolo[3,4-d]pyrimidin-1-ylacetic acid?
The IUPAC name of 2-morpholin-4-yl-2-piperidin-1-yl-2-pyrazolo[3,4-d]pyrimidin-1-ylacetic acid (CID 69279734) is 2-morpholin-4-yl-2-piperidin-1-yl-2-pyrazolo[3,4-d]pyrimidin-1-ylacetic acid.
What is the SMILES notation for 2-morpholin-4-yl-2-piperidin-1-yl-2-pyrazolo[3,4-d]pyrimidin-1-ylacetic acid?
The canonical SMILES for 2-morpholin-4-yl-2-piperidin-1-yl-2-pyrazolo[3,4-d]pyrimidin-1-ylacetic acid is O=C(O)C(N1CCCCC1)(N1CCOCC1)n1ncc2cncnc21.
What is the InChIKey of 2-morpholin-4-yl-2-piperidin-1-yl-2-pyrazolo[3,4-d]pyrimidin-1-ylacetic acid?
The InChIKey is OQPXHDZCGAIZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c23-15(24)16(20-4-2-1-3-5-20,21-6-8-25-9-7-21)22-14-13(11-19-22)10-17-12-18-14/h10-12H,1-9H2,(H,23,24).
What are the key properties of 2-morpholin-4-yl-2-piperidin-1-yl-2-pyrazolo[3,4-d]pyrimidin-1-ylacetic acid?
2-morpholin-4-yl-2-piperidin-1-yl-2-pyrazolo[3,4-d]pyrimidin-1-ylacetic acid has a molecular weight of 346.39 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-2-piperidin-1-yl-2-pyrazolo[3,4-d]pyrimidin-1-ylacetic acid is sourced from PubChem (CID 69279734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).