(2R,3R,4S,5R,6R)-2-methyl-6-[5-(2-methylpropyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol

C19H26F3N3O4 — CID 178008187

IUPAC(2R,3R,4S,5R,6R)-2-methyl-6-[5-(2-methylpropyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESCC(C)CC1CC([C@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2Oc2cccc(C(F)(F)F)n2)=NN1
InChIInChI=1S/C19H26F3N3O4/c1-9(2)7-11-8-12(25-24-11)17-18(16(27)15(26)10(3)28-17)29-14-6-4-5-13(23-14)19(20,21)22/h4-6,9-11,15-18,24,26-27H,7-8H2,1-3H3/t10-,11?,15+,16+,17-,18-/m1/s1
InChIKeyIKGTVWMVRFQXJE-VEPXFARHSA-N
MW417.43 g/mol
LogP2.12
Rot. Bonds5

About (2R,3R,4S,5R,6R)-2-methyl-6-[5-(2-methylpropyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol

(2R,3R,4S,5R,6R)-2-methyl-6-[5-(2-methylpropyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (PubChem CID 178008187) has the molecular formula C19H26F3N3O4 and a molecular weight of 417.43 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-methyl-6-[5-(2-methylpropyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-methyl-6-[5-(2-methylpropyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
PubChem CID178008187
Molecular FormulaC19H26F3N3O4
Molecular Weight417.43 g/mol
Exact Mass417.19
IUPAC Name(2R,3R,4S,5R,6R)-2-methyl-6-[5-(2-methylpropyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESCC(C)CC1CC([C@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2Oc2cccc(C(F)(F)F)n2)=NN1
InChIInChI=1S/C19H26F3N3O4/c1-9(2)7-11-8-12(25-24-11)17-18(16(27)15(26)10(3)28-17)29-14-6-4-5-13(23-14)19(20,21)22/h4-6,9-11,15-18,24,26-27H,7-8H2,1-3H3/t10-,11?,15+,16+,17-,18-/m1/s1
InChIKeyIKGTVWMVRFQXJE-VEPXFARHSA-N
XLogP2.12
TPSA96.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4S,5R,6R)-2-methyl-6-[5-(2-methylpropyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol with MolForge

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Related Compounds

(2R,3R,4S,5S)-2-(2-methylprop-2-enyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171556566
(2S,3R,4S,5R,6R)-2-(difluoromethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171556684
(2R,3R,4S,5R,6R)-6-[(1S)-1-hydroxyethyl]-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171556719
[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl (2Z)-N-methylpenta-2,4-dienimidate
CID 171556723
2-methoxy-6-(trifluoromethyl)pyridine;methyl 3-[2-[(2R)-4,5-dihydroxy-6-methyloxan-2-yl]ethyl]-1,6-dihydropyridazine-6-carboxylate
CID 171556889
(2R,3R,4S,5R,6R)-6-(3-hydroxypropyl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171557020
(2R,3R,4S,5R,6R)-2,6-dimethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171557033
(2R,3R,4S,5R,6R)-2-methyl-6-propa-1,2-dienyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171557276
(2R,3R,4S,5R,6R)-6-ethyl-4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-ol
CID 171557304
2-[(2R,3R,4R,5R,6R)-4,6-diethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-yl]oxypropan-2-ol
CID 171557336
(2R,3R,4S,5R,6R)-6-(1-hydroxyethyl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171557659
(2R,3R,4S,5R,6R)-2-methyl-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171557709

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-methyl-6-[5-(2-methylpropyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-methyl-6-[5-(2-methylpropyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (CID 178008187) is (2R,3R,4S,5R,6R)-2-methyl-6-[5-(2-methylpropyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-methyl-6-[5-(2-methylpropyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-methyl-6-[5-(2-methylpropyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is CC(C)CC1CC([C@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2Oc2cccc(C(F)(F)F)n2)=NN1.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-methyl-6-[5-(2-methylpropyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The InChIKey is IKGTVWMVRFQXJE-VEPXFARHSA-N. The full InChI is InChI=1S/C19H26F3N3O4/c1-9(2)7-11-8-12(25-24-11)17-18(16(27)15(26)10(3)28-17)29-14-6-4-5-13(23-14)19(20,21)22/h4-6,9-11,15-18,24,26-27H,7-8H2,1-3H3/t10-,11?,15+,16+,17-,18-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-methyl-6-[5-(2-methylpropyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
(2R,3R,4S,5R,6R)-2-methyl-6-[5-(2-methylpropyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol has a molecular weight of 417.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-methyl-6-[5-(2-methylpropyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is sourced from PubChem (CID 178008187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).