4-[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxopyrazine-2-carboxamide

C10H12FN3O5 — CID 70022399

IUPAC4-[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxopyrazine-2-carboxamide
SMILESNC(=O)c1nccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2F)c1=O
InChIInChI=1S/C10H12FN3O5/c11-5-7(16)4(3-15)19-10(5)14-2-1-13-6(8(12)17)9(14)18/h1-2,4-5,7,10,15-16H,3H2,(H2,12,17)/t4-,5-,7+,10-/m1/s1
InChIKeyWOLCJTHCUMJKIY-XEVJOGTHSA-N
MW273.22 g/mol
LogP-2.07
Rot. Bonds3

About 4-[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxopyrazine-2-carboxamide

4-[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxopyrazine-2-carboxamide (PubChem CID 70022399) has the molecular formula C10H12FN3O5 and a molecular weight of 273.22 g/mol. Its IUPAC name is 4-[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxopyrazine-2-carboxamide.

Molecular Properties

Compound Name4-[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxopyrazine-2-carboxamide
PubChem CID70022399
Molecular FormulaC10H12FN3O5
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name4-[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxopyrazine-2-carboxamide
SMILESNC(=O)c1nccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2F)c1=O
InChIInChI=1S/C10H12FN3O5/c11-5-7(16)4(3-15)19-10(5)14-2-1-13-6(8(12)17)9(14)18/h1-2,4-5,7,10,15-16H,3H2,(H2,12,17)/t4-,5-,7+,10-/m1/s1
InChIKeyWOLCJTHCUMJKIY-XEVJOGTHSA-N
XLogP-2.07
TPSA127.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 5-2.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxopyrazine-2-carboxamide with MolForge

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Related Compounds

bis[[(2R,3S,4R,5R)-5-(3-carbamoyl-2-oxopyrazin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphoryl bis[[(2R,3S,4R,5R)-5-(3-carbamoyl-2-oxopyrazin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl] phosphate
CID 87982930
6-chloro-4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxopyrazine-2-carboxamide
CID 5271807
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 66944209
4-amino-1-[(2R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 21117608
4-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-oxopyrazine-2-carboxamide
CID 123674708
4-amino-7-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 512291
5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl](4,5-13C2,315N)imidazole-4-carboxamide
CID 139026028
CID 176801475
CID 176801475
4-amino-5-fluoro-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 23317943
(2S,3S,4S,5R)-2-(2-aminoimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 45093396
1-[(2R,3R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118944111
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 3007908

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxopyrazine-2-carboxamide?
The IUPAC name of 4-[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxopyrazine-2-carboxamide (CID 70022399) is 4-[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxopyrazine-2-carboxamide.
What is the SMILES notation for 4-[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxopyrazine-2-carboxamide?
The canonical SMILES for 4-[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxopyrazine-2-carboxamide is NC(=O)c1nccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2F)c1=O.
What is the InChIKey of 4-[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxopyrazine-2-carboxamide?
The InChIKey is WOLCJTHCUMJKIY-XEVJOGTHSA-N. The full InChI is InChI=1S/C10H12FN3O5/c11-5-7(16)4(3-15)19-10(5)14-2-1-13-6(8(12)17)9(14)18/h1-2,4-5,7,10,15-16H,3H2,(H2,12,17)/t4-,5-,7+,10-/m1/s1.
What are the key properties of 4-[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxopyrazine-2-carboxamide?
4-[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxopyrazine-2-carboxamide has a molecular weight of 273.22 g/mol, XLogP of -2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxopyrazine-2-carboxamide is sourced from PubChem (CID 70022399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).