1-[3-chloro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-N,N-dimethylethenamine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen

C66H73ClN18O4 — CID 158016517

About 1-[3-chloro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-N,N-dimethylethenamine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen

1-[3-chloro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-N,N-dimethylethenamine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen (PubChem CID 158016517) has the molecular formula C66H73ClN18O4 and a molecular weight of 1217.88 g/mol. Its IUPAC name is 1-[3-chloro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-N,N-dimethylethenamine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[3-chloro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-N,N-dimethylethenamine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen
• PubChem CID: 158016517
• Molecular Formula: C66H73ClN18O4
• Molecular Weight: 1217.88 g/mol
• Exact Mass: 1216.58
• IUPAC Name: 1-[3-chloro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-N,N-dimethylethenamine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen
• SMILES: C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)c(Cl)c1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(N4CCOCC4)o3)n2)cc1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(Nc4cccnc4)o3)n2)cc1)N(C)C.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C23H20ClN5O.C22H21N7O.C21H24N6O2.4H2/c1-14-21(23-28-27-22(30-23)16-8-6-5-7-9-16)26-20(13-25-14)18-11-10-17(12-19(18)24)15(2)29(3)4;1-14-20(21-27-28-22(30-21)25-18-6-5-11-23-12-18)26-19(13-24-14)17-9-7-16(8-10-17)15(2)29(3)4;1-14-19(20-24-25-21(29-20)27-9-11-28-12-10-27)23-18(13-22-14)17-7-5-16(6-8-17)15(2)26(3)4;;;;/h5-13H,2H2,1,3-4H3;5-13H,2H2,1,3-4H3,(H,25,28);5-8,13H,2,9-12H2,1,3-4H3;4*1H
• InChIKey: FFNOTCWFUREPAK-UHFFFAOYSA-N
• XLogP: 13.38
• TPSA: 241.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1217.88
LogP ≤ 5	13.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-N,N-dimethylethenamine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen?

The IUPAC name of 1-[3-chloro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-N,N-dimethylethenamine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen (CID 158016517) is 1-[3-chloro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-N,N-dimethylethenamine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen.

What is the SMILES notation for 1-[3-chloro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-N,N-dimethylethenamine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen?

The canonical SMILES for 1-[3-chloro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-N,N-dimethylethenamine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen is C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)c(Cl)c1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(N4CCOCC4)o3)n2)cc1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(Nc4cccnc4)o3)n2)cc1)N(C)C.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 1-[3-chloro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-N,N-dimethylethenamine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen?

The InChIKey is FFNOTCWFUREPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O.C22H21N7O.C21H24N6O2.4H2/c1-14-21(23-28-27-22(30-23)16-8-6-5-7-9-16)26-20(13-25-14)18-11-10-17(12-19(18)24)15(2)29(3)4;1-14-20(21-27-28-22(30-21)25-18-6-5-11-23-12-18)26-19(13-24-14)17-9-7-16(8-10-17)15(2)29(3)4;1-14-19(20-24-25-21(29-20)27-9-11-28-12-10-27)23-18(13-22-14)17-7-5-16(6-8-17)15(2)26(3)4;;;;/h5-13H,2H2,1,3-4H3;5-13H,2H2,1,3-4H3,(H,25,28);5-8,13H,2,9-12H2,1,3-4H3;4*1H.

What are the key properties of 1-[3-chloro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-N,N-dimethylethenamine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen?

1-[3-chloro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-N,N-dimethylethenamine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen has a molecular weight of 1217.88 g/mol, XLogP of 13.38, 16 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-N,N-dimethylethenamine;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen is sourced from PubChem (CID 158016517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).