7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one

C13H14FN3O5 — CID 144823876

IUPAC7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCc1nc2cc([C@@H]3O[C@H](CO)C(O)C3O)c(=O)[nH]c2nc1F
InChIInChI=1S/C13H14FN3O5/c1-4-11(14)16-12-6(15-4)2-5(13(21)17-12)10-9(20)8(19)7(3-18)22-10/h2,7-10,18-20H,3H2,1H3,(H,16,17,21)/t7-,8?,9?,10+/m1/s1
InChIKeyXOLANWKMYHLPGX-WOOKNIGNSA-N
MW311.27 g/mol
LogP-1.08
Rot. Bonds2

About 7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one

7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one (PubChem CID 144823876) has the molecular formula C13H14FN3O5 and a molecular weight of 311.27 g/mol. Its IUPAC name is 7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one
PubChem CID144823876
Molecular FormulaC13H14FN3O5
Molecular Weight311.27 g/mol
Exact Mass311.09
IUPAC Name7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCc1nc2cc([C@@H]3O[C@H](CO)C(O)C3O)c(=O)[nH]c2nc1F
InChIInChI=1S/C13H14FN3O5/c1-4-11(14)16-12-6(15-4)2-5(13(21)17-12)10-9(20)8(19)7(3-18)22-10/h2,7-10,18-20H,3H2,1H3,(H,16,17,21)/t7-,8?,9?,10+/m1/s1
InChIKeyXOLANWKMYHLPGX-WOOKNIGNSA-N
XLogP-1.08
TPSA128.56 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-3-methyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 123820679
7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 144823806
3-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,7-dimethyl-1H-1,8-naphthyridin-2-one
CID 118004864
3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-6-methyl-1H-1,8-naphthyridin-2-one
CID 144823770
3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dimethyl-1H-1,8-naphthyridin-2-one
CID 144823865
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-3-methyl-1H-pyridin-2-one
CID 118004766
7-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-3-(trifluoromethyl)-5H-pyrido[2,3-b]pyrazine-6-thione
CID 122543411
3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-fluoro-5,6-dimethyl-1H-1,8-naphthyridine-2-thione
CID 144823563
6-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydropyrido[2,3-d]pyrimidine-2,7-dione
CID 122543350
7-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-5H-pyrido[2,3-b]pyrazine-6-thione
CID 118004818
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,6-dimethyl-1H-pyridin-2-one
CID 118004768
3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydro-1,8-naphthyridine-2,7-dione
CID 123158942

Frequently Asked Questions

What is the IUPAC name of 7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one (CID 144823876) is 7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one is Cc1nc2cc([C@@H]3O[C@H](CO)C(O)C3O)c(=O)[nH]c2nc1F.
What is the InChIKey of 7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one?
The InChIKey is XOLANWKMYHLPGX-WOOKNIGNSA-N. The full InChI is InChI=1S/C13H14FN3O5/c1-4-11(14)16-12-6(15-4)2-5(13(21)17-12)10-9(20)8(19)7(3-18)22-10/h2,7-10,18-20H,3H2,1H3,(H,16,17,21)/t7-,8?,9?,10+/m1/s1.
What are the key properties of 7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one?
7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one has a molecular weight of 311.27 g/mol, XLogP of -1.08, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 144823876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).