N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazole-5-carboxamide

C15H17F3N6O4 — CID 171557349

IUPACN-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NC[C@H]1OC[C@H](Nc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O)c1cnc[nH]1
InChIInChI=1S/C15H17F3N6O4/c16-15(17,18)10-3-19-4-11(24-10)23-8-5-28-9(13(26)12(8)25)2-21-14(27)7-1-20-6-22-7/h1,3-4,6,8-9,12-13,25-26H,2,5H2,(H,20,22)(H,21,27)(H,23,24)/t8-,9+,12+,13-/m0/s1
InChIKeyYCEZCKJPVFZWLU-ZFWZSOMGSA-N
MW402.33 g/mol
LogP-0.45
Rot. Bonds5

About N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazole-5-carboxamide

N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazole-5-carboxamide (PubChem CID 171557349) has the molecular formula C15H17F3N6O4 and a molecular weight of 402.33 g/mol. Its IUPAC name is N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazole-5-carboxamide
PubChem CID171557349
Molecular FormulaC15H17F3N6O4
Molecular Weight402.33 g/mol
Exact Mass402.13
IUPAC NameN-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NC[C@H]1OC[C@H](Nc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O)c1cnc[nH]1
InChIInChI=1S/C15H17F3N6O4/c16-15(17,18)10-3-19-4-11(24-10)23-8-5-28-9(13(26)12(8)25)2-21-14(27)7-1-20-6-22-7/h1,3-4,6,8-9,12-13,25-26H,2,5H2,(H,20,22)(H,21,27)(H,23,24)/t8-,9+,12+,13-/m0/s1
InChIKeyYCEZCKJPVFZWLU-ZFWZSOMGSA-N
XLogP-0.45
TPSA145.28 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.33
LogP ≤ 5-0.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazole-5-carboxamide with MolForge

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Related Compounds

2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
CID 70264293
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 171556685
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]pyrimidine-5-carboxamide
CID 171556865
N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171556994
N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171557129
N-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]-1H-imidazole-5-carboxamide
CID 171557184
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]pyrazine-2-carboxamide
CID 171557671
N-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]pyrazine-2-carboxamide
CID 171557821
N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrazine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171558715
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazole-2-carboxamide
CID 171558719
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-2-(2-methylpropyl)-1H-imidazole-5-carboxamide
CID 176953273
N-[(3R,4S,5S,6R)-6-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydroxyoxan-3-yl]-3-methylimidazole-4-carboxamide
CID 133065281

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazole-5-carboxamide (CID 171557349) is N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazole-5-carboxamide is O=C(NC[C@H]1OC[C@H](Nc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O)c1cnc[nH]1.
What is the InChIKey of N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazole-5-carboxamide?
The InChIKey is YCEZCKJPVFZWLU-ZFWZSOMGSA-N. The full InChI is InChI=1S/C15H17F3N6O4/c16-15(17,18)10-3-19-4-11(24-10)23-8-5-28-9(13(26)12(8)25)2-21-14(27)7-1-20-6-22-7/h1,3-4,6,8-9,12-13,25-26H,2,5H2,(H,20,22)(H,21,27)(H,23,24)/t8-,9+,12+,13-/m0/s1.
What are the key properties of N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazole-5-carboxamide?
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazole-5-carboxamide has a molecular weight of 402.33 g/mol, XLogP of -0.45, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 171557349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).