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

C72H73F6N19O5 — CID 159105143

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

[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;molecular hydrogen (PubChem CID 159105143) has the molecular formula C72H73F6N19O5 and a molecular weight of 1398.49 g/mol. Its IUPAC name is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;molecular hydrogen.

Molecular Properties

• Compound Name: [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;molecular hydrogen
• PubChem CID: 159105143
• Molecular Formula: C72H73F6N19O5
• Molecular Weight: 1398.49 g/mol
• Exact Mass: 1397.59
• IUPAC Name: [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;molecular hydrogen
• SMILES: C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4cccc(F)c4)o3)n2)cc1)N(C)C.Nc1ncc(-c2cc(F)c(C(=O)N3CCCNCC3)c(F)c2)nc1-c1nnc(-c2ccccc2)o1.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2C(F)(F)F)nc1-c1nnc(-c2ccccc2)o1.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H22F3N7O2.C24H21F2N7O2.C23H20FN5O.5H2/c26-25(27,28)18-13-16(24(36)35-11-4-9-30-10-12-35)7-8-17(18)19-14-31-21(29)20(32-19)23-34-33-22(37-23)15-5-2-1-3-6-15;25-16-11-15(12-17(26)19(16)24(34)33-9-4-7-28-8-10-33)18-13-29-21(27)20(30-18)23-32-31-22(35-23)14-5-2-1-3-6-14;1-14-21(23-28-27-22(30-23)18-6-5-7-19(24)12-18)26-20(13-25-14)17-10-8-16(9-11-17)15(2)29(3)4;;;;;/h1-3,5-8,13-14,30H,4,9-12H2,(H2,29,31);1-3,5-6,11-13,28H,4,7-10H2,(H2,27,29);5-13H,2H2,1,3-4H3;5*1H
• InChIKey: KDUCKCLMRCYSDN-UHFFFAOYSA-N
• XLogP: 13.12
• TPSA: 314.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1398.49
LogP ≤ 5	13.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;molecular hydrogen (CID 159105143) is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;molecular hydrogen.

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

The canonical SMILES for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;molecular hydrogen is C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4cccc(F)c4)o3)n2)cc1)N(C)C.Nc1ncc(-c2cc(F)c(C(=O)N3CCCNCC3)c(F)c2)nc1-c1nnc(-c2ccccc2)o1.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2C(F)(F)F)nc1-c1nnc(-c2ccccc2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].

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

The InChIKey is KDUCKCLMRCYSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N7O2.C24H21F2N7O2.C23H20FN5O.5H2/c26-25(27,28)18-13-16(24(36)35-11-4-9-30-10-12-35)7-8-17(18)19-14-31-21(29)20(32-19)23-34-33-22(37-23)15-5-2-1-3-6-15;25-16-11-15(12-17(26)19(16)24(34)33-9-4-7-28-8-10-33)18-13-29-21(27)20(30-18)23-32-31-22(35-23)14-5-2-1-3-6-14;1-14-21(23-28-27-22(30-23)18-6-5-7-19(24)12-18)26-20(13-25-14)17-10-8-16(9-11-17)15(2)29(3)4;;;;;/h1-3,5-8,13-14,30H,4,9-12H2,(H2,29,31);1-3,5-6,11-13,28H,4,7-10H2,(H2,27,29);5-13H,2H2,1,3-4H3;5*1H.

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

[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;molecular hydrogen has a molecular weight of 1398.49 g/mol, XLogP of 13.12, 13 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]-(1,4-diazepan-1-yl)methanone;1-[4-[6-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]-N,N-dimethylethenamine;molecular hydrogen is sourced from PubChem (CID 159105143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).