6-[(Z)-2-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile

C20H16F5N5O — CID 135125292

IUPAC6-[(Z)-2-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile
SMILESC[C@@]1(c2nc(/C=C(\F)c3ccc(C#N)cn3)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C20H16F5N5O/c1-18(10-31-19(2,17(27)30-18)20(23,24)25)16-13(21)5-4-12(29-16)7-14(22)15-6-3-11(8-26)9-28-15/h3-7,9H,10H2,1-2H3,(H2,27,30)/b14-7-/t18-,19+/m0/s1
InChIKeyMYSYGHGDPRBXTH-CFVWZZDWSA-N
MW437.37 g/mol
LogP3.88
Rot. Bonds3

About 6-[(Z)-2-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile

6-[(Z)-2-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile (PubChem CID 135125292) has the molecular formula C20H16F5N5O and a molecular weight of 437.37 g/mol. Its IUPAC name is 6-[(Z)-2-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(Z)-2-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile
PubChem CID135125292
Molecular FormulaC20H16F5N5O
Molecular Weight437.37 g/mol
Exact Mass437.13
IUPAC Name6-[(Z)-2-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile
SMILESC[C@@]1(c2nc(/C=C(\F)c3ccc(C#N)cn3)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C20H16F5N5O/c1-18(10-31-19(2,17(27)30-18)20(23,24)25)16-13(21)5-4-12(29-16)7-14(22)15-6-3-11(8-26)9-28-15/h3-7,9H,10H2,1-2H3,(H2,27,30)/b14-7-/t18-,19+/m0/s1
InChIKeyMYSYGHGDPRBXTH-CFVWZZDWSA-N
XLogP3.88
TPSA97.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(Z)-2-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(Z)-2-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile (CID 135125292) is 6-[(Z)-2-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(Z)-2-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(Z)-2-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile is C[C@@]1(c2nc(/C=C(\F)c3ccc(C#N)cn3)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1.
What is the InChIKey of 6-[(Z)-2-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile?
The InChIKey is MYSYGHGDPRBXTH-CFVWZZDWSA-N. The full InChI is InChI=1S/C20H16F5N5O/c1-18(10-31-19(2,17(27)30-18)20(23,24)25)16-13(21)5-4-12(29-16)7-14(22)15-6-3-11(8-26)9-28-15/h3-7,9H,10H2,1-2H3,(H2,27,30)/b14-7-/t18-,19+/m0/s1.
What are the key properties of 6-[(Z)-2-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile?
6-[(Z)-2-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile has a molecular weight of 437.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 135125292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).