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

C24H25F3N6O3 — CID 162206529

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

5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;molecular hydrogen (PubChem CID 162206529) has the molecular formula C24H25F3N6O3 and a molecular weight of 502.50 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-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;molecular hydrogen.

Molecular Properties

• Compound Name: 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;molecular hydrogen
• PubChem CID: 162206529
• Molecular Formula: C24H25F3N6O3
• Molecular Weight: 502.50 g/mol
• Exact Mass: 502.19
• IUPAC Name: 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;molecular hydrogen
• SMILES: CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C(F)(F)F)c4)cnc3C)o2)c(OC)c1.[H][H]
• InChI: InChI=1S/C24H23F3N6O3.H2/c1-13-21(23-32-31-22(36-23)17-7-5-15(10-28-3)9-19(17)35-4)30-18(11-29-13)16-6-8-20(34)33(12-16)14(2)24(25,26)27;/h5-9,11-12,14,28H,10H2,1-4H3;1H
• InChIKey: ZSGOLORTXYQJKN-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 107.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.50
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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-(1,1,1-trifluoropropan-2-yl)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-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;molecular hydrogen (CID 162206529) is 5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)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-(1,1,1-trifluoropropan-2-yl)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-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;molecular hydrogen is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C(F)(F)F)c4)cnc3C)o2)c(OC)c1.[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-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;molecular hydrogen?

The InChIKey is ZSGOLORTXYQJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O3.H2/c1-13-21(23-32-31-22(36-23)17-7-5-15(10-28-3)9-19(17)35-4)30-18(11-29-13)16-6-8-20(34)33(12-16)14(2)24(25,26)27;/h5-9,11-12,14,28H,10H2,1-4H3;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-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;molecular hydrogen?

5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;molecular hydrogen has a molecular weight of 502.50 g/mol, XLogP of 4.43, 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-(1,1,1-trifluoropropan-2-yl)pyridin-2-one;molecular hydrogen is sourced from PubChem (CID 162206529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).