1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C10H11FN4O4 — CID 164614562

IUPAC1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cnn2[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O
InChIInChI=1S/C10H11FN4O4/c11-6-5(2-16)19-10(7(6)17)15-8-4(1-14-15)9(18)13-3-12-8/h1,3,5-7,10,16-17H,2H2,(H,12,13,18)/t5-,6-,7-,10-/m1/s1
InChIKeyPMSFJNRLZNMLKR-DAGMQNCNSA-N
MW270.22 g/mol
LogP-1.29
Rot. Bonds2

About 1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 164614562) has the molecular formula C10H11FN4O4 and a molecular weight of 270.22 g/mol. Its IUPAC name is 1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID164614562
Molecular FormulaC10H11FN4O4
Molecular Weight270.22 g/mol
Exact Mass270.08
IUPAC Name1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cnn2[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O
InChIInChI=1S/C10H11FN4O4/c11-6-5(2-16)19-10(7(6)17)15-8-4(1-14-15)9(18)13-3-12-8/h1,3,5-7,10,16-17H,2H2,(H,12,13,18)/t5-,6-,7-,10-/m1/s1
InChIKeyPMSFJNRLZNMLKR-DAGMQNCNSA-N
XLogP-1.29
TPSA113.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 164614562) is 1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]cnc2c1cnn2[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O.
What is the InChIKey of 1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PMSFJNRLZNMLKR-DAGMQNCNSA-N. The full InChI is InChI=1S/C10H11FN4O4/c11-6-5(2-16)19-10(7(6)17)15-8-4(1-14-15)9(18)13-3-12-8/h1,3,5-7,10,16-17H,2H2,(H,12,13,18)/t5-,6-,7-,10-/m1/s1.
What are the key properties of 1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 270.22 g/mol, XLogP of -1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 164614562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).