1-[(2R,3S,4R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one

C11H12FN3O4 — CID 174232688

IUPAC1-[(2R,3S,4R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
SMILESO=c1[nH]ccc2c1ncn2[C@@H]1OC(CO)[C@H](F)[C@H]1O
InChIInChI=1S/C11H12FN3O4/c12-7-6(3-16)19-11(9(7)17)15-4-14-8-5(15)1-2-13-10(8)18/h1-2,4,6-7,9,11,16-17H,3H2,(H,13,18)/t6?,7-,9+,11+/m0/s1
InChIKeyOLYFJRLFELYYDP-FTOGMCKPSA-N
MW269.23 g/mol
LogP-0.69
Rot. Bonds2

About 1-[(2R,3S,4R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one

1-[(2R,3S,4R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one (PubChem CID 174232688) has the molecular formula C11H12FN3O4 and a molecular weight of 269.23 g/mol. Its IUPAC name is 1-[(2R,3S,4R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name1-[(2R,3S,4R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
PubChem CID174232688
Molecular FormulaC11H12FN3O4
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name1-[(2R,3S,4R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
SMILESO=c1[nH]ccc2c1ncn2[C@@H]1OC(CO)[C@H](F)[C@H]1O
InChIInChI=1S/C11H12FN3O4/c12-7-6(3-16)19-11(9(7)17)15-4-14-8-5(15)1-2-13-10(8)18/h1-2,4,6-7,9,11,16-17H,3H2,(H,13,18)/t6?,7-,9+,11+/m0/s1
InChIKeyOLYFJRLFELYYDP-FTOGMCKPSA-N
XLogP-0.69
TPSA100.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)-5-methylidenecyclopentyl]-5H-imidazo[4,5-c]pyridin-4-one
CID 156787226
9-[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 137278946
9-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135885678
9-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135992491
9-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135928013
6-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
CID 46874464
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;mercury
CID 175730179
9-[(2R,3S,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-sulfanyloxolan-2-yl]-1H-purin-6-one
CID 141261243
[(2R,3R,4S,5R)-3,4-diacetyloxy-5-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl acetate
CID 54004809
[(2R,3S,4S)-4-acetyloxy-3-fluoro-5-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl benzoate
CID 126567592
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;ethane
CID 143728569
copper;9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;palladium
CID 136593515

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,4R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 1-[(2R,3S,4R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one (CID 174232688) is 1-[(2R,3S,4R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 1-[(2R,3S,4R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 1-[(2R,3S,4R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one is O=c1[nH]ccc2c1ncn2[C@@H]1OC(CO)[C@H](F)[C@H]1O.
What is the InChIKey of 1-[(2R,3S,4R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is OLYFJRLFELYYDP-FTOGMCKPSA-N. The full InChI is InChI=1S/C11H12FN3O4/c12-7-6(3-16)19-11(9(7)17)15-4-14-8-5(15)1-2-13-10(8)18/h1-2,4,6-7,9,11,16-17H,3H2,(H,13,18)/t6?,7-,9+,11+/m0/s1.
What are the key properties of 1-[(2R,3S,4R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one?
1-[(2R,3S,4R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 269.23 g/mol, XLogP of -0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,4R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 174232688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).