2-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one

C12H20N4O2 — CID 141302977

IUPAC2-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
SMILESO=c1c2c([nH]n1CCN1CCOCC1)CNCC2
InChIInChI=1S/C12H20N4O2/c17-12-10-1-2-13-9-11(10)14-16(12)4-3-15-5-7-18-8-6-15/h13-14H,1-9H2
InChIKeyQHZPUPHFJNRODN-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.85
Rot. Bonds3

About 2-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one

2-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one (PubChem CID 141302977) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
PubChem CID141302977
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
SMILESO=c1c2c([nH]n1CCN1CCOCC1)CNCC2
InChIInChI=1S/C12H20N4O2/c17-12-10-1-2-13-9-11(10)14-16(12)4-3-15-5-7-18-8-6-15/h13-14H,1-9H2
InChIKeyQHZPUPHFJNRODN-UHFFFAOYSA-N
XLogP-0.85
TPSA62.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one (CID 141302977) is 2-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one is O=c1c2c([nH]n1CCN1CCOCC1)CNCC2.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The InChIKey is QHZPUPHFJNRODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c17-12-10-1-2-13-9-11(10)14-16(12)4-3-15-5-7-18-8-6-15/h13-14H,1-9H2.
What are the key properties of 2-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
2-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one has a molecular weight of 252.32 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 141302977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).