(2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[3,4-c]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C11H14N4O4 — CID 11010914

IUPAC(2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[3,4-c]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1nccc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[nH]nc12
InChIInChI=1S/C11H14N4O4/c12-11-7-4(1-2-13-11)6(14-15-7)10-9(18)8(17)5(3-16)19-10/h1-2,5,8-10,16-18H,3H2,(H2,12,13)(H,14,15)/t5-,8-,9-,10+/m1/s1
InChIKeyZLBKHBLDGNBPCE-KBHCAIDQSA-N
MW266.26 g/mol
LogP-1.31
Rot. Bonds2

About (2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[3,4-c]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[3,4-c]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 11010914) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[3,4-c]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[3,4-c]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID11010914
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name(2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[3,4-c]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1nccc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[nH]nc12
InChIInChI=1S/C11H14N4O4/c12-11-7-4(1-2-13-11)6(14-15-7)10-9(18)8(17)5(3-16)19-10/h1-2,5,8-10,16-18H,3H2,(H2,12,13)(H,14,15)/t5-,8-,9-,10+/m1/s1
InChIKeyZLBKHBLDGNBPCE-KBHCAIDQSA-N
XLogP-1.31
TPSA137.51 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-1.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
CID 135011179
[3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-pyrazolo[4,3-d]pyrimidin-7-yl]-trimethylazanium
CID 131878000
5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-phenylmethoxy-1H-pyrazole-3-carbothioamide
CID 54056045
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-(7-imino-4-methyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolane-3,4-diol
CID 135412760
2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-4-carboxamide
CID 14844021
2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-4-carboxamide
CID 14844023
(3R,4S,5R)-2-(5-amino-1H-imidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 67171845
(2R,3S,4R)-2-(hydroxymethyl)-5-(2-iodo-4-pyridinyl)oxolane-3,4-diol
CID 90764255
(2R,3S,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 92852183
(2R,3R)-2-(4-aminotriazolo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 21157911
4-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide
CID 91120633
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-methyl-1H-imidazol-5-yl)oxolane-3,4-diol
CID 135522006

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[3,4-c]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[3,4-c]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 11010914) is (2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[3,4-c]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[3,4-c]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[3,4-c]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol is Nc1nccc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[nH]nc12.
What is the InChIKey of (2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[3,4-c]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is ZLBKHBLDGNBPCE-KBHCAIDQSA-N. The full InChI is InChI=1S/C11H14N4O4/c12-11-7-4(1-2-13-11)6(14-15-7)10-9(18)8(17)5(3-16)19-10/h1-2,5,8-10,16-18H,3H2,(H2,12,13)(H,14,15)/t5-,8-,9-,10+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[3,4-c]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[3,4-c]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 266.26 g/mol, XLogP of -1.31, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[3,4-c]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 11010914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).