2-[[4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol

C19H19N5O2 — CID 22015525

IUPAC2-[[4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol
SMILESOCCNc1nc(-c2ccco2)c2cnn(CCc3ccccc3)c2n1
InChIInChI=1S/C19H19N5O2/c25-11-9-20-19-22-17(16-7-4-12-26-16)15-13-21-24(18(15)23-19)10-8-14-5-2-1-3-6-14/h1-7,12-13,25H,8-11H2,(H,20,22,23)
InChIKeyJGQYXLFYKIBEOC-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.73
Rot. Bonds7

About 2-[[4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol

2-[[4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol (PubChem CID 22015525) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[[4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol
PubChem CID22015525
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-[[4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol
SMILESOCCNc1nc(-c2ccco2)c2cnn(CCc3ccccc3)c2n1
InChIInChI=1S/C19H19N5O2/c25-11-9-20-19-22-17(16-7-4-12-26-16)15-13-21-24(18(15)23-19)10-8-14-5-2-1-3-6-14/h1-7,12-13,25H,8-11H2,(H,20,22,23)
InChIKeyJGQYXLFYKIBEOC-UHFFFAOYSA-N
XLogP2.73
TPSA89.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol?
The IUPAC name of 2-[[4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol (CID 22015525) is 2-[[4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol is OCCNc1nc(-c2ccco2)c2cnn(CCc3ccccc3)c2n1.
What is the InChIKey of 2-[[4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol?
The InChIKey is JGQYXLFYKIBEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-11-9-20-19-22-17(16-7-4-12-26-16)15-13-21-24(18(15)23-19)10-8-14-5-2-1-3-6-14/h1-7,12-13,25H,8-11H2,(H,20,22,23).
What are the key properties of 2-[[4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol?
2-[[4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol has a molecular weight of 349.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol is sourced from PubChem (CID 22015525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).