4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-3-oxopyrazine-2-carboxamide

C10H12FN3O5 — CID 173209709

IUPAC4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-3-oxopyrazine-2-carboxamide
SMILESC[C@H]1O[C@@H](n2cc(F)nc(C(N)=O)c2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H12FN3O5/c1-3-6(15)7(16)10(19-3)14-2-4(11)13-5(8(12)17)9(14)18/h2-3,6-7,10,15-16H,1H3,(H2,12,17)/t3-,6-,7-,10-/m1/s1
InChIKeyITSTYJGGRTXRRR-KAFVXXCXSA-N
MW273.22 g/mol
LogP-1.88
Rot. Bonds2

About 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-3-oxopyrazine-2-carboxamide

4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-3-oxopyrazine-2-carboxamide (PubChem CID 173209709) has the molecular formula C10H12FN3O5 and a molecular weight of 273.22 g/mol. Its IUPAC name is 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-3-oxopyrazine-2-carboxamide.

Molecular Properties

Compound Name4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-3-oxopyrazine-2-carboxamide
PubChem CID173209709
Molecular FormulaC10H12FN3O5
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-3-oxopyrazine-2-carboxamide
SMILESC[C@H]1O[C@@H](n2cc(F)nc(C(N)=O)c2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H12FN3O5/c1-3-6(15)7(16)10(19-3)14-2-4(11)13-5(8(12)17)9(14)18/h2-3,6-7,10,15-16H,1H3,(H2,12,17)/t3-,6-,7-,10-/m1/s1
InChIKeyITSTYJGGRTXRRR-KAFVXXCXSA-N
XLogP-1.88
TPSA127.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-3-oxopyrazine-2-carboxamide with MolForge

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Related Compounds

[(2R,3S,4R)-5-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 70148580
[[(2R,3S,4R,5R)-5-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](113C)methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 171395229
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidin-2-one
CID 157197209
[(2R,3S,4R,5R)-5-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)-3,4-dihydroxyoxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] methyl phosphate;N,N-diethylethanamine
CID 160705119
6-chloro-4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxopyrazine-2-carboxamide
CID 5271807
1-[(2R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one
CID 58434485
methyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 163729768
1-[(2R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro(213C,1,3-15N2)pyrimidine-2,4-dione
CID 71315472
2-[2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]acetyl]oxyacetic acid
CID 58492799
N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]acetamide;ethane;propane
CID 144702976
3-methylbutyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 71435392
3-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione
CID 118005370

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-3-oxopyrazine-2-carboxamide?
The IUPAC name of 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-3-oxopyrazine-2-carboxamide (CID 173209709) is 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-3-oxopyrazine-2-carboxamide.
What is the SMILES notation for 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-3-oxopyrazine-2-carboxamide?
The canonical SMILES for 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-3-oxopyrazine-2-carboxamide is C[C@H]1O[C@@H](n2cc(F)nc(C(N)=O)c2=O)[C@H](O)[C@@H]1O.
What is the InChIKey of 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-3-oxopyrazine-2-carboxamide?
The InChIKey is ITSTYJGGRTXRRR-KAFVXXCXSA-N. The full InChI is InChI=1S/C10H12FN3O5/c1-3-6(15)7(16)10(19-3)14-2-4(11)13-5(8(12)17)9(14)18/h2-3,6-7,10,15-16H,1H3,(H2,12,17)/t3-,6-,7-,10-/m1/s1.
What are the key properties of 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-3-oxopyrazine-2-carboxamide?
4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-3-oxopyrazine-2-carboxamide has a molecular weight of 273.22 g/mol, XLogP of -1.88, 2 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)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-3-oxopyrazine-2-carboxamide is sourced from PubChem (CID 173209709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).