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5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;molecular hydrogen

C23H25F3N6O3 — CID 158782400

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;molecular hydrogen
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(CC(F)(F)F)c4)cnc3C)o2)c(OC)c1.[H][H].[H][H]
InChIInChI=1S/C23H21F3N6O3.2H2/c1-13-20(22-31-30-21(35-22)16-6-4-14(9-27-2)8-18(16)34-3)29-17(10-28-13)15-5-7-19(33)32(11-15)12-23(24,25)26;;/h4-8,10-11,27H,9,12H2,1-3H3;2*1H
InChIKeyIRFXYSPFULJPOD-UHFFFAOYSA-N
MW490.49 g/mol
LogP4.11
Rot. Bonds7

About 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;molecular hydrogen

5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;molecular hydrogen (PubChem CID 158782400) has the molecular formula C23H25F3N6O3 and a molecular weight of 490.49 g/mol. Its IUPAC name is 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;molecular hydrogen.

Molecular Properties

Compound Name5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;molecular hydrogen
PubChem CID158782400
Molecular FormulaC23H25F3N6O3
Molecular Weight490.49 g/mol
Exact Mass490.19
IUPAC Name5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;molecular hydrogen
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(CC(F)(F)F)c4)cnc3C)o2)c(OC)c1.[H][H].[H][H]
InChIInChI=1S/C23H21F3N6O3.2H2/c1-13-20(22-31-30-21(35-22)16-6-4-14(9-27-2)8-18(16)34-3)29-17(10-28-13)15-5-7-19(33)32(11-15)12-23(24,25)26;;/h4-8,10-11,27H,9,12H2,1-3H3;2*1H
InChIKeyIRFXYSPFULJPOD-UHFFFAOYSA-N
XLogP4.11
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;molecular hydrogen?
The IUPAC name of 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;molecular hydrogen (CID 158782400) is 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;molecular hydrogen.
What is the SMILES notation for 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;molecular hydrogen?
The canonical SMILES for 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;molecular hydrogen is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(CC(F)(F)F)c4)cnc3C)o2)c(OC)c1.[H][H].[H][H].
What is the InChIKey of 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;molecular hydrogen?
The InChIKey is IRFXYSPFULJPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O3.2H2/c1-13-20(22-31-30-21(35-22)16-6-4-14(9-27-2)8-18(16)34-3)29-17(10-28-13)15-5-7-19(33)32(11-15)12-23(24,25)26;;/h4-8,10-11,27H,9,12H2,1-3H3;2*1H.
What are the key properties of 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;molecular hydrogen?
5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;molecular hydrogen has a molecular weight of 490.49 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one;molecular hydrogen is sourced from PubChem (CID 158782400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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