[4-(dimethylamino)piperidin-1-yl]-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]methanone;molecular hydrogen

C28H29F3N6O2 — CID 159955104

About [4-(dimethylamino)piperidin-1-yl]-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]methanone;molecular hydrogen

[4-(dimethylamino)piperidin-1-yl]-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]methanone;molecular hydrogen (PubChem CID 159955104) has the molecular formula C28H29F3N6O2 and a molecular weight of 538.57 g/mol. Its IUPAC name is [4-(dimethylamino)piperidin-1-yl]-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: [4-(dimethylamino)piperidin-1-yl]-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]methanone;molecular hydrogen
• PubChem CID: 159955104
• Molecular Formula: C28H29F3N6O2
• Molecular Weight: 538.57 g/mol
• Exact Mass: 538.23
• IUPAC Name: [4-(dimethylamino)piperidin-1-yl]-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]methanone;molecular hydrogen
• SMILES: Cc1ncc(-c2ccc(C(=O)N3CCC(N(C)C)CC3)cc2C(F)(F)F)nc1-c1nnc(-c2ccccc2)o1.[H][H]
• InChI: InChI=1S/C28H27F3N6O2.H2/c1-17-24(26-35-34-25(39-26)18-7-5-4-6-8-18)33-23(16-32-17)21-10-9-19(15-22(21)28(29,30)31)27(38)37-13-11-20(12-14-37)36(2)3;/h4-10,15-16,20H,11-14H2,1-3H3;1H
• InChIKey: OCPQWLFCZYCVFW-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 88.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.57
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]methanone;molecular hydrogen?

The IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]methanone;molecular hydrogen (CID 159955104) is [4-(dimethylamino)piperidin-1-yl]-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]methanone;molecular hydrogen.

What is the SMILES notation for [4-(dimethylamino)piperidin-1-yl]-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]methanone;molecular hydrogen?

The canonical SMILES for [4-(dimethylamino)piperidin-1-yl]-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]methanone;molecular hydrogen is Cc1ncc(-c2ccc(C(=O)N3CCC(N(C)C)CC3)cc2C(F)(F)F)nc1-c1nnc(-c2ccccc2)o1.[H][H].

What is the InChIKey of [4-(dimethylamino)piperidin-1-yl]-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]methanone;molecular hydrogen?

The InChIKey is OCPQWLFCZYCVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N6O2.H2/c1-17-24(26-35-34-25(39-26)18-7-5-4-6-8-18)33-23(16-32-17)21-10-9-19(15-22(21)28(29,30)31)27(38)37-13-11-20(12-14-37)36(2)3;/h4-10,15-16,20H,11-14H2,1-3H3;1H.

What are the key properties of [4-(dimethylamino)piperidin-1-yl]-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]methanone;molecular hydrogen?

[4-(dimethylamino)piperidin-1-yl]-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]methanone;molecular hydrogen has a molecular weight of 538.57 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(dimethylamino)piperidin-1-yl]-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]methanone;molecular hydrogen is sourced from PubChem (CID 159955104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).