1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide

C22H19FN6O2 — CID 95560076

About 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide

1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide (PubChem CID 95560076) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
• PubChem CID: 95560076
• Molecular Formula: C22H19FN6O2
• Molecular Weight: 418.43 g/mol
• Exact Mass: 418.16
• IUPAC Name: 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
• SMILES: C[C@@H](NC(=O)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1)c1ccc(F)cc1
• InChI: InChI=1S/C22H19FN6O2/c1-13(14-4-7-17(23)8-5-14)26-21(30)18-11-29(12-25-18)19-9-6-16(10-24-19)22-27-20(28-31-22)15-2-3-15/h4-13,15H,2-3H2,1H3,(H,26,30)/t13-/m1/s1
• InChIKey: IVZLKZMMDJOQIH-CYBMUJFWSA-N
• XLogP: 3.82
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.43
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide?

The IUPAC name of 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide (CID 95560076) is 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide.

What is the SMILES notation for 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide?

The canonical SMILES for 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide is C[C@@H](NC(=O)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1)c1ccc(F)cc1.

What is the InChIKey of 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide?

The InChIKey is IVZLKZMMDJOQIH-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H19FN6O2/c1-13(14-4-7-17(23)8-5-14)26-21(30)18-11-29(12-25-18)19-9-6-16(10-24-19)22-27-20(28-31-22)15-2-3-15/h4-13,15H,2-3H2,1H3,(H,26,30)/t13-/m1/s1.

What are the key properties of 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide?

1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 95560076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).