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

C19H25F3N6O4 — CID 176953273

IUPACN-[[(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
SMILESCC(C)Cc1ncc(C(=O)NC[C@H]2OC[C@H](Nc3cncc(C(F)(F)F)n3)[C@@H](O)[C@H]2O)[nH]1
InChIInChI=1S/C19H25F3N6O4/c1-9(2)3-14-24-4-10(26-14)18(31)25-5-12-17(30)16(29)11(8-32-12)27-15-7-23-6-13(28-15)19(20,21)22/h4,6-7,9,11-12,16-17,29-30H,3,5,8H2,1-2H3,(H,24,26)(H,25,31)(H,27,28)/t11-,12+,16+,17-/m0/s1
InChIKeyUKXDEVYJZIJBGP-SONRMIBWSA-N
MW458.44 g/mol
LogP0.75
Rot. Bonds7

About 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

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 (PubChem CID 176953273) has the molecular formula C19H25F3N6O4 and a molecular weight of 458.44 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]-2-(2-methylpropyl)-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]-2-(2-methylpropyl)-1H-imidazole-5-carboxamide
PubChem CID176953273
Molecular FormulaC19H25F3N6O4
Molecular Weight458.44 g/mol
Exact Mass458.19
IUPAC NameN-[[(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
SMILESCC(C)Cc1ncc(C(=O)NC[C@H]2OC[C@H](Nc3cncc(C(F)(F)F)n3)[C@@H](O)[C@H]2O)[nH]1
InChIInChI=1S/C19H25F3N6O4/c1-9(2)3-14-24-4-10(26-14)18(31)25-5-12-17(30)16(29)11(8-32-12)27-15-7-23-6-13(28-15)19(20,21)22/h4,6-7,9,11-12,16-17,29-30H,3,5,8H2,1-2H3,(H,24,26)(H,25,31)(H,27,28)/t11-,12+,16+,17-/m0/s1
InChIKeyUKXDEVYJZIJBGP-SONRMIBWSA-N
XLogP0.75
TPSA145.28 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 50.75
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]-2-(2-methylpropyl)-1H-imidazole-5-carboxamide with MolForge

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Related Compounds

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]-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]-1H-imidazole-5-carboxamide
CID 171557349
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-[(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-[(3R,4S,5S,6R)-6-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydroxyoxan-3-yl]-3-methylimidazole-4-carboxamide
CID 133065281
N-[(3R,4S,5S,6R)-6-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydroxyoxan-3-yl]-1-methylimidazole-4-carboxamide
CID 156000870
[(3R,4S)-4-(dimethylamino)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1H-imidazol-5-yl)methanone
CID 110124991
N-[[(3R,4R)-3,4-dihydroxy-1-pyrazin-2-ylpiperidin-4-yl]methyl]-1H-imidazole-5-carboxamide
CID 110139525
N-(3-hydroxyoxan-4-yl)-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide
CID 132348847

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]-2-(2-methylpropyl)-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]-2-(2-methylpropyl)-1H-imidazole-5-carboxamide (CID 176953273) is 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.
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]-2-(2-methylpropyl)-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]-2-(2-methylpropyl)-1H-imidazole-5-carboxamide is CC(C)Cc1ncc(C(=O)NC[C@H]2OC[C@H](Nc3cncc(C(F)(F)F)n3)[C@@H](O)[C@H]2O)[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]-2-(2-methylpropyl)-1H-imidazole-5-carboxamide?
The InChIKey is UKXDEVYJZIJBGP-SONRMIBWSA-N. The full InChI is InChI=1S/C19H25F3N6O4/c1-9(2)3-14-24-4-10(26-14)18(31)25-5-12-17(30)16(29)11(8-32-12)27-15-7-23-6-13(28-15)19(20,21)22/h4,6-7,9,11-12,16-17,29-30H,3,5,8H2,1-2H3,(H,24,26)(H,25,31)(H,27,28)/t11-,12+,16+,17-/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]-2-(2-methylpropyl)-1H-imidazole-5-carboxamide?
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 has a molecular weight of 458.44 g/mol, XLogP of 0.75, 7 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]-2-(2-methylpropyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 176953273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).