3-amino-6-[5-(1,1-difluoro-2,3-dihydroxypropan-2-yl)-2-(trideuteriomethyl)phenyl]pyrazine-2-carboxylic acid

C15H15F2N3O4 — CID 139465791

IUPAC3-amino-6-[5-(1,1-difluoro-2,3-dihydroxypropan-2-yl)-2-(trideuteriomethyl)phenyl]pyrazine-2-carboxylic acid
SMILES[2H]C([2H])([2H])c1ccc(C(O)(CO)C(F)F)cc1-c1cnc(N)c(C(=O)O)n1
InChIInChI=1S/C15H15F2N3O4/c1-7-2-3-8(15(24,6-21)14(16)17)4-9(7)10-5-19-12(18)11(20-10)13(22)23/h2-5,14,21,24H,6H2,1H3,(H2,18,19)(H,22,23)/i1D3
InChIKeyWYNWGGIVUSKPSA-FIBGUPNXSA-N
MW342.32 g/mol
LogP1.18
Rot. Bonds6

About 3-amino-6-[5-(1,1-difluoro-2,3-dihydroxypropan-2-yl)-2-(trideuteriomethyl)phenyl]pyrazine-2-carboxylic acid

3-amino-6-[5-(1,1-difluoro-2,3-dihydroxypropan-2-yl)-2-(trideuteriomethyl)phenyl]pyrazine-2-carboxylic acid (PubChem CID 139465791) has the molecular formula C15H15F2N3O4 and a molecular weight of 342.32 g/mol. Its IUPAC name is 3-amino-6-[5-(1,1-difluoro-2,3-dihydroxypropan-2-yl)-2-(trideuteriomethyl)phenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-[5-(1,1-difluoro-2,3-dihydroxypropan-2-yl)-2-(trideuteriomethyl)phenyl]pyrazine-2-carboxylic acid
PubChem CID139465791
Molecular FormulaC15H15F2N3O4
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name3-amino-6-[5-(1,1-difluoro-2,3-dihydroxypropan-2-yl)-2-(trideuteriomethyl)phenyl]pyrazine-2-carboxylic acid
SMILES[2H]C([2H])([2H])c1ccc(C(O)(CO)C(F)F)cc1-c1cnc(N)c(C(=O)O)n1
InChIInChI=1S/C15H15F2N3O4/c1-7-2-3-8(15(24,6-21)14(16)17)4-9(7)10-5-19-12(18)11(20-10)13(22)23/h2-5,14,21,24H,6H2,1H3,(H2,18,19)(H,22,23)/i1D3
InChIKeyWYNWGGIVUSKPSA-FIBGUPNXSA-N
XLogP1.18
TPSA129.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-amino-6-[5-(1,1-difluoro-2,3-dihydroxypropan-2-yl)-2-(trideuteriomethyl)phenyl]pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-amino-6-[5-[(2S)-1,1-difluoro-2,3-dihydroxypropan-2-yl]-2-methylphenyl]pyrazin-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 139465763
3-amino-N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-[2-(trideuteriomethyl)-5-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]phenyl]pyrazine-2-carboxamide
CID 151809863
3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide
CID 150317870
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[2-methyl-5-(1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)phenyl]pyrazine-2-carboxamide;methanamine
CID 153389228
3-amino-N-[4-(hydroxymethyl)-1-bicyclo[2.1.1]hexanyl]-6-[2-methyl-5-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]phenyl]pyrazine-2-carboxamide
CID 171392725
2-[3-[5-amino-6-(2,2-dimethylazetidine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
CID 150751838
2-[3-[5-amino-6-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]-4-(trideuteriomethyl)phenyl]-1,1,1,4,4,4-hexafluorobutane-2,3-diol;2,2,2-trifluoroacetic acid
CID 175698595
2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
CID 156514195
2-[3-[5-amino-6-(3-methyl-1,2-thiazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol;2,2,2-trifluoroacetic acid
CID 175698629
3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 155817766
3-amino-6-(2-chlorophenyl)pyrazine-2-carboxylic acid
CID 59263791
2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;bis(2,2,2-trifluoroacetic acid)
CID 156514181

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[5-(1,1-difluoro-2,3-dihydroxypropan-2-yl)-2-(trideuteriomethyl)phenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-[5-(1,1-difluoro-2,3-dihydroxypropan-2-yl)-2-(trideuteriomethyl)phenyl]pyrazine-2-carboxylic acid (CID 139465791) is 3-amino-6-[5-(1,1-difluoro-2,3-dihydroxypropan-2-yl)-2-(trideuteriomethyl)phenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-[5-(1,1-difluoro-2,3-dihydroxypropan-2-yl)-2-(trideuteriomethyl)phenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-[5-(1,1-difluoro-2,3-dihydroxypropan-2-yl)-2-(trideuteriomethyl)phenyl]pyrazine-2-carboxylic acid is [2H]C([2H])([2H])c1ccc(C(O)(CO)C(F)F)cc1-c1cnc(N)c(C(=O)O)n1.
What is the InChIKey of 3-amino-6-[5-(1,1-difluoro-2,3-dihydroxypropan-2-yl)-2-(trideuteriomethyl)phenyl]pyrazine-2-carboxylic acid?
The InChIKey is WYNWGGIVUSKPSA-FIBGUPNXSA-N. The full InChI is InChI=1S/C15H15F2N3O4/c1-7-2-3-8(15(24,6-21)14(16)17)4-9(7)10-5-19-12(18)11(20-10)13(22)23/h2-5,14,21,24H,6H2,1H3,(H2,18,19)(H,22,23)/i1D3.
What are the key properties of 3-amino-6-[5-(1,1-difluoro-2,3-dihydroxypropan-2-yl)-2-(trideuteriomethyl)phenyl]pyrazine-2-carboxylic acid?
3-amino-6-[5-(1,1-difluoro-2,3-dihydroxypropan-2-yl)-2-(trideuteriomethyl)phenyl]pyrazine-2-carboxylic acid has a molecular weight of 342.32 g/mol, XLogP of 1.18, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[5-(1,1-difluoro-2,3-dihydroxypropan-2-yl)-2-(trideuteriomethyl)phenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 139465791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).