(1R,2S,5S)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-3-ene-1,2-diol

C10H11N5O2 — CID 10823523

IUPAC(1R,2S,5S)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-3-ene-1,2-diol
SMILESNc1ncnc2c1cnn2[C@H]1C=C[C@H](O)[C@@H]1O
InChIInChI=1S/C10H11N5O2/c11-9-5-3-14-15(10(5)13-4-12-9)6-1-2-7(16)8(6)17/h1-4,6-8,16-17H,(H2,11,12,13)/t6-,7-,8+/m0/s1
InChIKeyDLTLOKKUARMZKV-BIIVOSGPSA-N
MW233.23 g/mol
LogP-0.76
Rot. Bonds1

About (1R,2S,5S)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-3-ene-1,2-diol

(1R,2S,5S)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-3-ene-1,2-diol (PubChem CID 10823523) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is (1R,2S,5S)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-3-ene-1,2-diol.

Molecular Properties

Compound Name(1R,2S,5S)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-3-ene-1,2-diol
PubChem CID10823523
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name(1R,2S,5S)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-3-ene-1,2-diol
SMILESNc1ncnc2c1cnn2[C@H]1C=C[C@H](O)[C@@H]1O
InChIInChI=1S/C10H11N5O2/c11-9-5-3-14-15(10(5)13-4-12-9)6-1-2-7(16)8(6)17/h1-4,6-8,16-17H,(H2,11,12,13)/t6-,7-,8+/m0/s1
InChIKeyDLTLOKKUARMZKV-BIIVOSGPSA-N
XLogP-0.76
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol
CID 10243872
4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol
CID 46741392
(1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol
CID 10584870
(2R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)cyclobutan-1-ol
CID 59796188
(1S,2R,5R)-5-(6-amino-8-methylpurin-9-yl)cyclopent-3-ene-1,2-diol
CID 132942269
[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol
CID 175935264
ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 143264470
(2R,3S,5R)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 14188467
6-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
CID 584565
[(E)-2-[(2R,3S,4R,5R)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethenyl]phosphonic acid
CID 25152538
4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide
CID 169323707
1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 141059458

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-3-ene-1,2-diol?
The IUPAC name of (1R,2S,5S)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-3-ene-1,2-diol (CID 10823523) is (1R,2S,5S)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-3-ene-1,2-diol.
What is the SMILES notation for (1R,2S,5S)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-3-ene-1,2-diol?
The canonical SMILES for (1R,2S,5S)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-3-ene-1,2-diol is Nc1ncnc2c1cnn2[C@H]1C=C[C@H](O)[C@@H]1O.
What is the InChIKey of (1R,2S,5S)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-3-ene-1,2-diol?
The InChIKey is DLTLOKKUARMZKV-BIIVOSGPSA-N. The full InChI is InChI=1S/C10H11N5O2/c11-9-5-3-14-15(10(5)13-4-12-9)6-1-2-7(16)8(6)17/h1-4,6-8,16-17H,(H2,11,12,13)/t6-,7-,8+/m0/s1.
What are the key properties of (1R,2S,5S)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-3-ene-1,2-diol?
(1R,2S,5S)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-3-ene-1,2-diol has a molecular weight of 233.23 g/mol, XLogP of -0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-3-ene-1,2-diol is sourced from PubChem (CID 10823523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).