2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol

C17H20N6O — CID 950348

IUPAC2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C17H20N6O/c24-11-10-21-6-8-22(9-7-21)16-15-12-20-23(17(15)19-13-18-16)14-4-2-1-3-5-14/h1-5,12-13,24H,6-11H2
InChIKeyBOHLQZDZORVFNM-UHFFFAOYSA-N
MW324.39 g/mol
LogP0.93
Rot. Bonds4

About 2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol

2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 950348) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
PubChem CID950348
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C17H20N6O/c24-11-10-21-6-8-22(9-7-21)16-15-12-20-23(17(15)19-13-18-16)14-4-2-1-3-5-14/h1-5,12-13,24H,6-11H2
InChIKeyBOHLQZDZORVFNM-UHFFFAOYSA-N
XLogP0.93
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol (CID 950348) is 2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol is OCCN1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1.
What is the InChIKey of 2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is BOHLQZDZORVFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c24-11-10-21-6-8-22(9-7-21)16-15-12-20-23(17(15)19-13-18-16)14-4-2-1-3-5-14/h1-5,12-13,24H,6-11H2.
What are the key properties of 2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol?
2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 324.39 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 950348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).