5-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one

C17H17N5O3 — CID 169109593

IUPAC5-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(C(c1ccccc1)n1cnc2[nH]ncc2c1=O)N1CCC(O)C1
InChIInChI=1S/C17H17N5O3/c23-12-6-7-21(9-12)17(25)14(11-4-2-1-3-5-11)22-10-18-15-13(16(22)24)8-19-20-15/h1-5,8,10,12,14,23H,6-7,9H2,(H,19,20)
InChIKeyJRTARLDJAYYGPX-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.30
Rot. Bonds3

About 5-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one

5-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 169109593) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 5-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID169109593
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name5-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(C(c1ccccc1)n1cnc2[nH]ncc2c1=O)N1CCC(O)C1
InChIInChI=1S/C17H17N5O3/c23-12-6-7-21(9-12)17(25)14(11-4-2-1-3-5-11)22-10-18-15-13(16(22)24)8-19-20-15/h1-5,8,10,12,14,23H,6-7,9H2,(H,19,20)
InChIKeyJRTARLDJAYYGPX-UHFFFAOYSA-N
XLogP0.30
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one (CID 169109593) is 5-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one is O=C(C(c1ccccc1)n1cnc2[nH]ncc2c1=O)N1CCC(O)C1.
What is the InChIKey of 5-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is JRTARLDJAYYGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-12-6-7-21(9-12)17(25)14(11-4-2-1-3-5-11)22-10-18-15-13(16(22)24)8-19-20-15/h1-5,8,10,12,14,23H,6-7,9H2,(H,19,20).
What are the key properties of 5-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one?
5-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 339.36 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 169109593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).