5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide

C29H26F3N9O3 — CID 155216989

About 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide

5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide (PubChem CID 155216989) has the molecular formula C29H26F3N9O3 and a molecular weight of 605.58 g/mol. Its IUPAC name is 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
• PubChem CID: 155216989
• Molecular Formula: C29H26F3N9O3
• Molecular Weight: 605.58 g/mol
• Exact Mass: 605.21
• IUPAC Name: 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
• SMILES: Cc1c(-c2ccnn2-c2ccc(C#N)cc2)n(C(=O)N[C@@H](C)c2nnc(CN(C)C)o2)c(=O)n1-c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C29H26F3N9O3/c1-17(26-37-36-24(44-26)16-38(3)4)35-27(42)40-25(23-12-13-34-41(23)21-10-8-19(15-33)9-11-21)18(2)39(28(40)43)22-7-5-6-20(14-22)29(30,31)32/h5-14,17H,16H2,1-4H3,(H,35,42)/t17-/m0/s1
• InChIKey: OOWZJZBGTFYZND-KRWDZBQOSA-N
• XLogP: 4.45
• TPSA: 139.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.58
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide?

The IUPAC name of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide (CID 155216989) is 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide.

What is the SMILES notation for 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide?

The canonical SMILES for 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide is Cc1c(-c2ccnn2-c2ccc(C#N)cc2)n(C(=O)N[C@@H](C)c2nnc(CN(C)C)o2)c(=O)n1-c1cccc(C(F)(F)F)c1.

What is the InChIKey of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide?

The InChIKey is OOWZJZBGTFYZND-KRWDZBQOSA-N. The full InChI is InChI=1S/C29H26F3N9O3/c1-17(26-37-36-24(44-26)16-38(3)4)35-27(42)40-25(23-12-13-34-41(23)21-10-8-19(15-33)9-11-21)18(2)39(28(40)43)22-7-5-6-20(14-22)29(30,31)32/h5-14,17H,16H2,1-4H3,(H,35,42)/t17-/m0/s1.

What are the key properties of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide?

5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide has a molecular weight of 605.58 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide is sourced from PubChem (CID 155216989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).