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

C20H23F3N4O5 — CID 151809863

IUPAC3-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
SMILES[2H]C([2H])([2H])c1ccc([C@](O)(CO)C(F)(F)F)cc1-c1cnc(N)c(C(=O)N[C@@H]2CCOC[C@H]2O)n1
InChIInChI=1S/C20H23F3N4O5/c1-10-2-3-11(19(31,9-28)20(21,22)23)6-12(10)14-7-25-17(24)16(26-14)18(30)27-13-4-5-32-8-15(13)29/h2-3,6-7,13,15,28-29,31H,4-5,8-9H2,1H3,(H2,24,25)(H,27,30)/t13-,15-,19-/m1/s1/i1D3
InChIKeySAJNZIWGWYOPPY-ORMDSGPVSA-N
MW459.44 g/mol
LogP0.66
Rot. Bonds6

About 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

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 (PubChem CID 151809863) has the molecular formula C20H23F3N4O5 and a molecular weight of 459.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID151809863
Molecular FormulaC20H23F3N4O5
Molecular Weight459.44 g/mol
Exact Mass459.18
IUPAC Name3-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
SMILES[2H]C([2H])([2H])c1ccc([C@](O)(CO)C(F)(F)F)cc1-c1cnc(N)c(C(=O)N[C@@H]2CCOC[C@H]2O)n1
InChIInChI=1S/C20H23F3N4O5/c1-10-2-3-11(19(31,9-28)20(21,22)23)6-12(10)14-7-25-17(24)16(26-14)18(30)27-13-4-5-32-8-15(13)29/h2-3,6-7,13,15,28-29,31H,4-5,8-9H2,1H3,(H2,24,25)(H,27,30)/t13-,15-,19-/m1/s1/i1D3
InChIKeySAJNZIWGWYOPPY-ORMDSGPVSA-N
XLogP0.66
TPSA150.82 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.44
LogP ≤ 50.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
3-amino-6-[5-(1,1-difluoro-2,3-dihydroxypropan-2-yl)-2-(trideuteriomethyl)phenyl]pyrazine-2-carboxylic acid
CID 139465791
3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(4-hydroxy-4-methylcyclohexyl)pyrazine-2-carboxamide
CID 156514188
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
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-[5-[(2S)-1,1-difluoro-2,3-dihydroxypropan-2-yl]-2-methylphenyl]pyrazin-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 139465763
2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
CID 156514195
3-amino-2-[3-(5-amino-6-chloropyrazin-2-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
CID 138562312
2-[3-[5-amino-6-(2,2-dimethylazetidine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
CID 150751838
[3-amino-2-[3-[5-amino-6-[(2-methoxy-2-methylpropyl)carbamoyl]pyrazin-2-yl]-4-methylphenyl]-1,1,1-trifluoro-3-oxopropan-2-yl] 2,2,2-trifluoroacetate
CID 156514216
5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide
CID 152592478

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])([2H])c1ccc([C@](O)(CO)C(F)(F)F)cc1-c1cnc(N)c(C(=O)N[C@@H]2CCOC[C@H]2O)n1.
What is the InChIKey of 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?
The InChIKey is SAJNZIWGWYOPPY-ORMDSGPVSA-N. The full InChI is InChI=1S/C20H23F3N4O5/c1-10-2-3-11(19(31,9-28)20(21,22)23)6-12(10)14-7-25-17(24)16(26-14)18(30)27-13-4-5-32-8-15(13)29/h2-3,6-7,13,15,28-29,31H,4-5,8-9H2,1H3,(H2,24,25)(H,27,30)/t13-,15-,19-/m1/s1/i1D3.
What are the key properties of 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?
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 has a molecular weight of 459.44 g/mol, XLogP of 0.66, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 151809863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).