(2R,3R,4R,5S)-2-[(pyridin-3-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol

C16H18F3N5O3 — CID 171557390

IUPAC(2R,3R,4R,5S)-2-[(pyridin-3-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](Nc2cncc(C(F)(F)F)n2)CO[C@@H]1CNc1cccnc1
InChIInChI=1S/C16H18F3N5O3/c17-16(18,19)12-6-21-7-13(24-12)23-10-8-27-11(15(26)14(10)25)5-22-9-2-1-3-20-4-9/h1-4,6-7,10-11,14-15,22,25-26H,5,8H2,(H,23,24)/t10-,11+,14+,15-/m0/s1
InChIKeyAAORDAQYSUHFTD-DRABBMOASA-N
MW385.35 g/mol
LogP0.90
Rot. Bonds5

About (2R,3R,4R,5S)-2-[(pyridin-3-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol

(2R,3R,4R,5S)-2-[(pyridin-3-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol (PubChem CID 171557390) has the molecular formula C16H18F3N5O3 and a molecular weight of 385.35 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-[(pyridin-3-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-[(pyridin-3-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
PubChem CID171557390
Molecular FormulaC16H18F3N5O3
Molecular Weight385.35 g/mol
Exact Mass385.14
IUPAC Name(2R,3R,4R,5S)-2-[(pyridin-3-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](Nc2cncc(C(F)(F)F)n2)CO[C@@H]1CNc1cccnc1
InChIInChI=1S/C16H18F3N5O3/c17-16(18,19)12-6-21-7-13(24-12)23-10-8-27-11(15(26)14(10)25)5-22-9-2-1-3-20-4-9/h1-4,6-7,10-11,14-15,22,25-26H,5,8H2,(H,23,24)/t10-,11+,14+,15-/m0/s1
InChIKeyAAORDAQYSUHFTD-DRABBMOASA-N
XLogP0.90
TPSA112.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2R,3R,4R,5S)-2-[(pyridin-3-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol with MolForge

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Launch Full Analysis

Related Compounds

4-[[1-[5-(Trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]oxan-3-ol
CID 156021463
1-(2,4-difluorophenyl)-3-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)oxolan-2-yl]methyl]urea
CID 28962058
(2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(propan-2-ylamino)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)oxolan-3-ol
CID 28962077
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 167408811
(2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)oxolan-3-ol
CID 28962016
1-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)oxolan-2-yl]methyl]-3-phenylurea
CID 28962055
(2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)oxolan-3-ol
CID 28962070
1-(Oxolan-2-yl)-2-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 71855256
3-[4-[6-(2-Aminopyridine-3-carboximidoyl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol
CID 91139947
(5R)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 163715417
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 165180228
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 165180244

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-[(pyridin-3-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-[(pyridin-3-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol (CID 171557390) is (2R,3R,4R,5S)-2-[(pyridin-3-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-[(pyridin-3-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-[(pyridin-3-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol is O[C@@H]1[C@H](O)[C@@H](Nc2cncc(C(F)(F)F)n2)CO[C@@H]1CNc1cccnc1.
What is the InChIKey of (2R,3R,4R,5S)-2-[(pyridin-3-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?
The InChIKey is AAORDAQYSUHFTD-DRABBMOASA-N. The full InChI is InChI=1S/C16H18F3N5O3/c17-16(18,19)12-6-21-7-13(24-12)23-10-8-27-11(15(26)14(10)25)5-22-9-2-1-3-20-4-9/h1-4,6-7,10-11,14-15,22,25-26H,5,8H2,(H,23,24)/t10-,11+,14+,15-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-[(pyridin-3-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?
(2R,3R,4R,5S)-2-[(pyridin-3-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol has a molecular weight of 385.35 g/mol, XLogP of 0.90, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-[(pyridin-3-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol is sourced from PubChem (CID 171557390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).