[5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzonitrile;molecular hydrogen

C65H62FN19O4 — CID 159625746

About [5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzonitrile;molecular hydrogen

[5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzonitrile;molecular hydrogen (PubChem CID 159625746) has the molecular formula C65H62FN19O4 and a molecular weight of 1192.34 g/mol. Its IUPAC name is [5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzonitrile;molecular hydrogen.

Molecular Properties

• Compound Name: [5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzonitrile;molecular hydrogen
• PubChem CID: 159625746
• Molecular Formula: C65H62FN19O4
• Molecular Weight: 1192.34 g/mol
• Exact Mass: 1191.52
• IUPAC Name: [5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzonitrile;molecular hydrogen
• SMILES: C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccc(F)cc4)o3)n2)cc1)N(C)C.Cc1ncc(-c2ccccc2C#N)nc1-c1nnc(-c2ccccc2)o1.Nc1ncc(-c2cnc(C(=O)N3CCCNCC3)cn2)nc1-c1nnc(-c2ccccc2)o1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C23H20FN5O.C22H21N9O2.C20H13N5O.4H2/c1-14-21(23-28-27-22(30-23)18-9-11-19(24)12-10-18)26-20(13-25-14)17-7-5-16(6-8-17)15(2)29(3)4;23-19-18(21-30-29-20(33-21)14-5-2-1-3-6-14)28-16(12-27-19)15-11-26-17(13-25-15)22(32)31-9-4-7-24-8-10-31;1-13-18(20-25-24-19(26-20)14-7-3-2-4-8-14)23-17(12-22-13)16-10-6-5-9-15(16)11-21;;;;/h5-13H,2H2,1,3-4H3;1-3,5-6,11-13,24H,4,7-10H2,(H2,23,27);2-10,12H,1H3;4*1H
• InChIKey: MOLSSMUSJFXICJ-UHFFFAOYSA-N
• XLogP: 11.53
• TPSA: 305.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1192.34
LogP ≤ 5	11.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of [5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzonitrile;molecular hydrogen?

The IUPAC name of [5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzonitrile;molecular hydrogen (CID 159625746) is [5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzonitrile;molecular hydrogen.

What is the SMILES notation for [5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzonitrile;molecular hydrogen?

The canonical SMILES for [5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzonitrile;molecular hydrogen is C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccc(F)cc4)o3)n2)cc1)N(C)C.Cc1ncc(-c2ccccc2C#N)nc1-c1nnc(-c2ccccc2)o1.Nc1ncc(-c2cnc(C(=O)N3CCCNCC3)cn2)nc1-c1nnc(-c2ccccc2)o1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of [5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzonitrile;molecular hydrogen?

The InChIKey is MOLSSMUSJFXICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O.C22H21N9O2.C20H13N5O.4H2/c1-14-21(23-28-27-22(30-23)18-9-11-19(24)12-10-18)26-20(13-25-14)17-7-5-16(6-8-17)15(2)29(3)4;23-19-18(21-30-29-20(33-21)14-5-2-1-3-6-14)28-16(12-27-19)15-11-26-17(13-25-15)22(32)31-9-4-7-24-8-10-31;1-13-18(20-25-24-19(26-20)14-7-3-2-4-8-14)23-17(12-22-13)16-10-6-5-9-15(16)11-21;;;;/h5-13H,2H2,1,3-4H3;1-3,5-6,11-13,24H,4,7-10H2,(H2,23,27);2-10,12H,1H3;4*1H.

What are the key properties of [5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzonitrile;molecular hydrogen?

[5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzonitrile;molecular hydrogen has a molecular weight of 1192.34 g/mol, XLogP of 11.53, 12 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzonitrile;molecular hydrogen is sourced from PubChem (CID 159625746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).