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

C13H14FN3O3 — CID 156787226

IUPAC1-[(1R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)-5-methylidenecyclopentyl]-5H-imidazo[4,5-c]pyridin-4-one
SMILESC=C1[C@@H](n2cnc3c(=O)[nH]ccc32)C(F)[C@H](O)[C@H]1CO
InChIInChI=1S/C13H14FN3O3/c1-6-7(4-18)12(19)9(14)11(6)17-5-16-10-8(17)2-3-15-13(10)20/h2-3,5,7,9,11-12,18-19H,1,4H2,(H,15,20)/t7-,9?,11+,12+/m0/s1
InChIKeyUFODYXCEDJWHGI-INLTYJTMSA-N
MW279.27 g/mol
LogP0.14
Rot. Bonds2

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

1-[(1R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)-5-methylidenecyclopentyl]-5H-imidazo[4,5-c]pyridin-4-one (PubChem CID 156787226) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 1-[(1R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)-5-methylidenecyclopentyl]-5H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name1-[(1R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)-5-methylidenecyclopentyl]-5H-imidazo[4,5-c]pyridin-4-one
PubChem CID156787226
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name1-[(1R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)-5-methylidenecyclopentyl]-5H-imidazo[4,5-c]pyridin-4-one
SMILESC=C1[C@@H](n2cnc3c(=O)[nH]ccc32)C(F)[C@H](O)[C@H]1CO
InChIInChI=1S/C13H14FN3O3/c1-6-7(4-18)12(19)9(14)11(6)17-5-16-10-8(17)2-3-15-13(10)20/h2-3,5,7,9,11-12,18-19H,1,4H2,(H,15,20)/t7-,9?,11+,12+/m0/s1
InChIKeyUFODYXCEDJWHGI-INLTYJTMSA-N
XLogP0.14
TPSA91.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,3S,4R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
CID 174232688
3-[(1R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)-5-methylidenecyclopentyl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 156787208
trans-(2S,5R)-3-(6-aminopurin-9-yl)-2-fluoro-5-(hydroxymethyl)-4-methylidenecyclopentan-1-ol
CID 121320951
(1R,2R,3R,5R)-3-(6-aminopurin-9-yl)-2-fluoro-5-(hydroxymethyl)-4-methylidenecyclopentan-1-ol
CID 52920495
2-fluoro-5-(hydroxymethyl)-4-methylidene-3-(4-methyl-5-propan-2-ylimidazol-1-yl)cyclopentan-1-ol
CID 123684408
9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one
CID 136599044
9-[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 137278946
[(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
9-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-1H-purin-6-one
CID 135489906
9-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135928013
9-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135992491
9-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135885678

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)-5-methylidenecyclopentyl]-5H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 1-[(1R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)-5-methylidenecyclopentyl]-5H-imidazo[4,5-c]pyridin-4-one (CID 156787226) is 1-[(1R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)-5-methylidenecyclopentyl]-5H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 1-[(1R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)-5-methylidenecyclopentyl]-5H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 1-[(1R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)-5-methylidenecyclopentyl]-5H-imidazo[4,5-c]pyridin-4-one is C=C1[C@@H](n2cnc3c(=O)[nH]ccc32)C(F)[C@H](O)[C@H]1CO.
What is the InChIKey of 1-[(1R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)-5-methylidenecyclopentyl]-5H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is UFODYXCEDJWHGI-INLTYJTMSA-N. The full InChI is InChI=1S/C13H14FN3O3/c1-6-7(4-18)12(19)9(14)11(6)17-5-16-10-8(17)2-3-15-13(10)20/h2-3,5,7,9,11-12,18-19H,1,4H2,(H,15,20)/t7-,9?,11+,12+/m0/s1.
What are the key properties of 1-[(1R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)-5-methylidenecyclopentyl]-5H-imidazo[4,5-c]pyridin-4-one?
1-[(1R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)-5-methylidenecyclopentyl]-5H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 279.27 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)-5-methylidenecyclopentyl]-5H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 156787226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).