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

C23H21F3N6O3 — CID 58070484

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
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(CC(F)(F)F)c4)cnc3C)o2)c(OC)c1
InChIInChI=1S/C23H21F3N6O3/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
InChIKeyIZYBNJWOHLNMQW-UHFFFAOYSA-N
MW486.45 g/mol
LogP3.62
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

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 (PubChem CID 58070484) has the molecular formula C23H21F3N6O3 and a molecular weight of 486.45 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 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
PubChem CID58070484
Molecular FormulaC23H21F3N6O3
Molecular Weight486.45 g/mol
Exact Mass486.16
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
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(CC(F)(F)F)c4)cnc3C)o2)c(OC)c1
InChIInChI=1S/C23H21F3N6O3/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
InChIKeyIZYBNJWOHLNMQW-UHFFFAOYSA-N
XLogP3.62
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.45
LogP ≤ 53.62
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 with MolForge

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Related Compounds

5-[5-Amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 68070825
5-[5-Amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one
CID 68070827
4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 137638150
3-(5-Phenyl-1,3,4-oxadiazol-2-yl)-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine
CID 59472195
5-[5-Amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
CID 53495169
5-[5-Amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(1-hydroxypropan-2-yl)pyridin-2-one
CID 54672752
5-[5-Amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(oxolan-3-yl)pyridin-2-one
CID 54674975
2-[5-[5-Amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile
CID 58070481
4-[5-Amino-6-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-n,n-dimethyl-benzamide
CID 59471781
4-[5-amino-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
CID 59471905
tert-butyl N-[2-[2-[5-[3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]carbamate
CID 59471964
4-[5-amino-6-[5-[2-(2-aminoethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethyl-benzamide
CID 59471968

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?
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 (CID 58070484) 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.
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?
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 is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(CC(F)(F)F)c4)cnc3C)o2)c(OC)c1.
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?
The InChIKey is IZYBNJWOHLNMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O3/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.
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?
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 has a molecular weight of 486.45 g/mol, XLogP of 3.62, 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 is sourced from PubChem (CID 58070484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).