(1S,2R,5R)-5-(4-amino-7-fluoroimidazo[4,5-c]pyridin-1-yl)cyclopent-3-ene-1,2-diol

C11H11FN4O2 — CID 45111036

IUPAC(1S,2R,5R)-5-(4-amino-7-fluoroimidazo[4,5-c]pyridin-1-yl)cyclopent-3-ene-1,2-diol
SMILESNc1ncc(F)c2c1ncn2[C@@H]1C=C[C@@H](O)[C@H]1O
InChIInChI=1S/C11H11FN4O2/c12-5-3-14-11(13)8-9(5)16(4-15-8)6-1-2-7(17)10(6)18/h1-4,6-7,10,17-18H,(H2,13,14)/t6-,7-,10+/m1/s1
InChIKeyHISURDVKPGAXJK-XSSZXYGBSA-N
MW250.23 g/mol
LogP-0.01
Rot. Bonds1

About (1S,2R,5R)-5-(4-amino-7-fluoroimidazo[4,5-c]pyridin-1-yl)cyclopent-3-ene-1,2-diol

(1S,2R,5R)-5-(4-amino-7-fluoroimidazo[4,5-c]pyridin-1-yl)cyclopent-3-ene-1,2-diol (PubChem CID 45111036) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is (1S,2R,5R)-5-(4-amino-7-fluoroimidazo[4,5-c]pyridin-1-yl)cyclopent-3-ene-1,2-diol.

Molecular Properties

Compound Name(1S,2R,5R)-5-(4-amino-7-fluoroimidazo[4,5-c]pyridin-1-yl)cyclopent-3-ene-1,2-diol
PubChem CID45111036
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name(1S,2R,5R)-5-(4-amino-7-fluoroimidazo[4,5-c]pyridin-1-yl)cyclopent-3-ene-1,2-diol
SMILESNc1ncc(F)c2c1ncn2[C@@H]1C=C[C@@H](O)[C@H]1O
InChIInChI=1S/C11H11FN4O2/c12-5-3-14-11(13)8-9(5)16(4-15-8)6-1-2-7(17)10(6)18/h1-4,6-7,10,17-18H,(H2,13,14)/t6-,7-,10+/m1/s1
InChIKeyHISURDVKPGAXJK-XSSZXYGBSA-N
XLogP-0.01
TPSA97.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 126489243
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CID 155536467
(1S,2R,5R)-5-(6-amino-8-methylpurin-9-yl)cyclopent-3-ene-1,2-diol
CID 132942269
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CID 159913278
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CID 10823523
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CID 102573581
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CID 10402711
7-fluoro-1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine
CID 178093283
(2S,3R,4S,5R)-2-(4-amino-6-fluoroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 10107917
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CID 70902335
3-hydroxy-7-methylimidazo[4,5-c]pyridin-4-amine
CID 121226470
5-(6-aminopurin-9-yl)-4-fluoro-3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol
CID 67797697

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R)-5-(4-amino-7-fluoroimidazo[4,5-c]pyridin-1-yl)cyclopent-3-ene-1,2-diol?
The IUPAC name of (1S,2R,5R)-5-(4-amino-7-fluoroimidazo[4,5-c]pyridin-1-yl)cyclopent-3-ene-1,2-diol (CID 45111036) is (1S,2R,5R)-5-(4-amino-7-fluoroimidazo[4,5-c]pyridin-1-yl)cyclopent-3-ene-1,2-diol.
What is the SMILES notation for (1S,2R,5R)-5-(4-amino-7-fluoroimidazo[4,5-c]pyridin-1-yl)cyclopent-3-ene-1,2-diol?
The canonical SMILES for (1S,2R,5R)-5-(4-amino-7-fluoroimidazo[4,5-c]pyridin-1-yl)cyclopent-3-ene-1,2-diol is Nc1ncc(F)c2c1ncn2[C@@H]1C=C[C@@H](O)[C@H]1O.
What is the InChIKey of (1S,2R,5R)-5-(4-amino-7-fluoroimidazo[4,5-c]pyridin-1-yl)cyclopent-3-ene-1,2-diol?
The InChIKey is HISURDVKPGAXJK-XSSZXYGBSA-N. The full InChI is InChI=1S/C11H11FN4O2/c12-5-3-14-11(13)8-9(5)16(4-15-8)6-1-2-7(17)10(6)18/h1-4,6-7,10,17-18H,(H2,13,14)/t6-,7-,10+/m1/s1.
What are the key properties of (1S,2R,5R)-5-(4-amino-7-fluoroimidazo[4,5-c]pyridin-1-yl)cyclopent-3-ene-1,2-diol?
(1S,2R,5R)-5-(4-amino-7-fluoroimidazo[4,5-c]pyridin-1-yl)cyclopent-3-ene-1,2-diol has a molecular weight of 250.23 g/mol, XLogP of -0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-5-(4-amino-7-fluoroimidazo[4,5-c]pyridin-1-yl)cyclopent-3-ene-1,2-diol is sourced from PubChem (CID 45111036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).