2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-1-phenylethanol

C17H19N5O2 — CID 11336323

IUPAC2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-1-phenylethanol
SMILESOC(Cn1ncc2c(N3CCOCC3)ncnc21)c1ccccc1
InChIInChI=1S/C17H19N5O2/c23-15(13-4-2-1-3-5-13)11-22-17-14(10-20-22)16(18-12-19-17)21-6-8-24-9-7-21/h1-5,10,12,15,23H,6-9,11H2
InChIKeyRNYJMLWRQHOOTQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.40
Rot. Bonds4

About 2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-1-phenylethanol

2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-1-phenylethanol (PubChem CID 11336323) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-1-phenylethanol
PubChem CID11336323
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-1-phenylethanol
SMILESOC(Cn1ncc2c(N3CCOCC3)ncnc21)c1ccccc1
InChIInChI=1S/C17H19N5O2/c23-15(13-4-2-1-3-5-13)11-22-17-14(10-20-22)16(18-12-19-17)21-6-8-24-9-7-21/h1-5,10,12,15,23H,6-9,11H2
InChIKeyRNYJMLWRQHOOTQ-UHFFFAOYSA-N
XLogP1.40
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-1-phenylethanol?
The IUPAC name of 2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-1-phenylethanol (CID 11336323) is 2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-1-phenylethanol.
What is the SMILES notation for 2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-1-phenylethanol?
The canonical SMILES for 2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-1-phenylethanol is OC(Cn1ncc2c(N3CCOCC3)ncnc21)c1ccccc1.
What is the InChIKey of 2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-1-phenylethanol?
The InChIKey is RNYJMLWRQHOOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-15(13-4-2-1-3-5-13)11-22-17-14(10-20-22)16(18-12-19-17)21-6-8-24-9-7-21/h1-5,10,12,15,23H,6-9,11H2.
What are the key properties of 2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-1-phenylethanol?
2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-1-phenylethanol has a molecular weight of 325.37 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-1-phenylethanol is sourced from PubChem (CID 11336323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).