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[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

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

IUPAC[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
SMILESCc1ncc(-c2ccc(C(=O)N3CCC(N(C)C)CC3)cc2C(F)(F)F)nc1-c1nnc(-c2ccccc2)o1.[H][H]
InChIInChI=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
InChIKeyOCPQWLFCZYCVFW-UHFFFAOYSA-N
MW538.57 g/mol
LogP5.60
Rot. Bonds5

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 CID159955104
Molecular FormulaC28H29F3N6O2
Molecular Weight538.57 g/mol
Exact Mass538.23
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
SMILESCc1ncc(-c2ccc(C(=O)N3CCC(N(C)C)CC3)cc2C(F)(F)F)nc1-c1nnc(-c2ccccc2)o1.[H][H]
InChIInChI=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
InChIKeyOCPQWLFCZYCVFW-UHFFFAOYSA-N
XLogP5.60
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.57
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [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 with MolForge

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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).

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