[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone;ethyl 4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate;2-[3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen

C78H81N19O7 — CID 157397859

About [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone;ethyl 4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate;2-[3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen

[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone;ethyl 4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate;2-[3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen (PubChem CID 157397859) has the molecular formula C78H81N19O7 and a molecular weight of 1396.63 g/mol. Its IUPAC name is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone;ethyl 4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate;2-[3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen.

Molecular Properties

• Compound Name: [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone;ethyl 4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate;2-[3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
• PubChem CID: 157397859
• Molecular Formula: C78H81N19O7
• Molecular Weight: 1396.63 g/mol
• Exact Mass: 1395.66
• IUPAC Name: [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone;ethyl 4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate;2-[3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
• SMILES: C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)cc1)N1CCN(C)CC1.CCOC(=O)N1CCN(C(=O)c2ccc(-c3cnc(C)c(-c4nnc(-c5ccccc5)o4)n3)cc2)CC1.CN(C)[C@H]1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cc2)C1.[H][H].[H][H]
• InChI: InChI=1S/C27H26N6O4.C26H26N6O.C25H25N7O2.2H2/c1-3-36-27(35)33-15-13-32(14-16-33)26(34)21-11-9-19(10-12-21)22-17-28-18(2)23(29-22)25-31-30-24(37-25)20-7-5-4-6-8-20;1-18-24(26-30-29-25(33-26)22-7-5-4-6-8-22)28-23(17-27-18)21-11-9-20(10-12-21)19(2)32-15-13-31(3)14-16-32;1-31(2)19-12-13-32(15-19)25(33)18-10-8-16(9-11-18)20-14-27-22(26)21(28-20)24-30-29-23(34-24)17-6-4-3-5-7-17;;/h4-12,17H,3,13-16H2,1-2H3;4-12,17H,2,13-16H2,1,3H3;3-11,14,19H,12-13,15H2,1-2H3,(H2,26,27);2*1H/t;;19-;;/m..0../s1
• InChIKey: BMUDTKHDCIFELT-UGQFJFPUSA-N
• XLogP: 12.18
• TPSA: 300.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1396.63
LogP ≤ 5	12.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone;ethyl 4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate;2-[3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

The IUPAC name of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone;ethyl 4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate;2-[3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen (CID 157397859) is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone;ethyl 4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate;2-[3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen.

What is the SMILES notation for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone;ethyl 4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate;2-[3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

The canonical SMILES for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone;ethyl 4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate;2-[3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen is C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)cc1)N1CCN(C)CC1.CCOC(=O)N1CCN(C(=O)c2ccc(-c3cnc(C)c(-c4nnc(-c5ccccc5)o4)n3)cc2)CC1.CN(C)[C@H]1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cc2)C1.[H][H].[H][H].

What is the InChIKey of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone;ethyl 4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate;2-[3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

The InChIKey is BMUDTKHDCIFELT-UGQFJFPUSA-N. The full InChI is InChI=1S/C27H26N6O4.C26H26N6O.C25H25N7O2.2H2/c1-3-36-27(35)33-15-13-32(14-16-33)26(34)21-11-9-19(10-12-21)22-17-28-18(2)23(29-22)25-31-30-24(37-25)20-7-5-4-6-8-20;1-18-24(26-30-29-25(33-26)22-7-5-4-6-8-22)28-23(17-27-18)21-11-9-20(10-12-21)19(2)32-15-13-31(3)14-16-32;1-31(2)19-12-13-32(15-19)25(33)18-10-8-16(9-11-18)20-14-27-22(26)21(28-20)24-30-29-23(34-24)17-6-4-3-5-7-17;;/h4-12,17H,3,13-16H2,1-2H3;4-12,17H,2,13-16H2,1,3H3;3-11,14,19H,12-13,15H2,1-2H3,(H2,26,27);2*1H/t;;19-;;/m..0../s1.

What are the key properties of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone;ethyl 4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate;2-[3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone;ethyl 4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate;2-[3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen has a molecular weight of 1396.63 g/mol, XLogP of 12.18, 15 rotatable bonds, 1 hydrogen bond donors, and 23 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]phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone;ethyl 4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate;2-[3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen is sourced from PubChem (CID 157397859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).