2-[4-[5-amino-6-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen

C73H80N22O4S — CID 159873124

About 2-[4-[5-amino-6-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen

2-[4-[5-amino-6-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen (PubChem CID 159873124) has the molecular formula C73H80N22O4S and a molecular weight of 1361.66 g/mol. Its IUPAC name is 2-[4-[5-amino-6-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[4-[5-amino-6-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen
• PubChem CID: 159873124
• Molecular Formula: C73H80N22O4S
• Molecular Weight: 1361.66 g/mol
• Exact Mass: 1360.65
• IUPAC Name: 2-[4-[5-amino-6-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen
• SMILES: CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc5c(c4)CNCC5)o3)n2)ccn1.Cc1ccsc1-c1nnc(-c2nc(-c3ccnc(C4(C#N)CCNCC4)c3)cnc2C)o1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(OCCN(C)C)cc2)o1.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H27N7O2.C24H22N8O.C23H21N7OS.5H2/c1-17-23(30-21(15-29-17)19-10-11-28-22(14-19)26(2,3)16-27)25-32-31-24(35-25)18-6-8-20(9-7-18)34-13-12-33(4)5;1-24(2,13-25)19-10-15(6-8-28-19)18-12-29-21(26)20(30-18)23-32-31-22(33-23)16-4-3-14-5-7-27-11-17(14)9-16;1-14-4-10-32-20(14)22-30-29-21(31-22)19-15(2)27-12-17(28-19)16-3-7-26-18(11-16)23(13-24)5-8-25-9-6-23;;;;;/h6-11,14-15H,12-13H2,1-5H3;3-4,6,8-10,12,27H,5,7,11H2,1-2H3,(H2,26,29);3-4,7,10-12,25H,5-6,8-9H2,1-2H3;5*1H
• InChIKey: NSOGNGOBVZIXKI-UHFFFAOYSA-N
• XLogP: 12.90
• TPSA: 366.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1361.66
LogP ≤ 5	12.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-6-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen?

The IUPAC name of 2-[4-[5-amino-6-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen (CID 159873124) is 2-[4-[5-amino-6-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen.

What is the SMILES notation for 2-[4-[5-amino-6-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen?

The canonical SMILES for 2-[4-[5-amino-6-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen is CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc5c(c4)CNCC5)o3)n2)ccn1.Cc1ccsc1-c1nnc(-c2nc(-c3ccnc(C4(C#N)CCNCC4)c3)cnc2C)o1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(OCCN(C)C)cc2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 2-[4-[5-amino-6-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen?

The InChIKey is NSOGNGOBVZIXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2.C24H22N8O.C23H21N7OS.5H2/c1-17-23(30-21(15-29-17)19-10-11-28-22(14-19)26(2,3)16-27)25-32-31-24(35-25)18-6-8-20(9-7-18)34-13-12-33(4)5;1-24(2,13-25)19-10-15(6-8-28-19)18-12-29-21(26)20(30-18)23-32-31-22(33-23)16-4-3-14-5-7-27-11-17(14)9-16;1-14-4-10-32-20(14)22-30-29-21(31-22)19-15(2)27-12-17(28-19)16-3-7-26-18(11-16)23(13-24)5-8-25-9-6-23;;;;;/h6-11,14-15H,12-13H2,1-5H3;3-4,6,8-10,12,27H,5,7,11H2,1-2H3,(H2,26,29);3-4,7,10-12,25H,5-6,8-9H2,1-2H3;5*1H.

What are the key properties of 2-[4-[5-amino-6-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen?

2-[4-[5-amino-6-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen has a molecular weight of 1361.66 g/mol, XLogP of 12.90, 16 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-amino-6-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen is sourced from PubChem (CID 159873124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).