2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-3-fluoro-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]methanol;5-[3-fluoro-2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[3-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine

C137H139F2N33O7 — CID 158095461

About 2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-3-fluoro-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]methanol;5-[3-fluoro-2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[3-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine

2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-3-fluoro-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]methanol;5-[3-fluoro-2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[3-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine (PubChem CID 158095461) has the molecular formula C137H139F2N33O7 and a molecular weight of 2397.84 g/mol. Its IUPAC name is 2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-3-fluoro-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]methanol;5-[3-fluoro-2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[3-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-3-fluoro-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]methanol;5-[3-fluoro-2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[3-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine
• PubChem CID: 158095461
• Molecular Formula: C137H139F2N33O7
• Molecular Weight: 2397.84 g/mol
• Exact Mass: 2396.15
• IUPAC Name: 2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-3-fluoro-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]methanol;5-[3-fluoro-2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[3-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine
• SMILES: C#CC(C)(C)c1nccc(-c2cnc(N)c(-c3cc(-c4ccc(CCCC5COC5)cc4)no3)n2)c1F.CC(C)(C#N)c1nccc(-c2cnc(N)c(-c3cc(-c4ccc(CNC5CCCCC5)cc4)no3)n2)c1F.N#CCc1cc(-c2cnc(N)c(-c3cc(-c4ccc(CNC5CCCCC5)cc4)no3)n2)ccn1.N#CCc1cc(-c2cnc(N)c(-c3nnc(-c4ccc(CNC5CCCCC5)cc4)o3)n2)ccn1.Nc1ncc(-c2ccnc(CO)c2)nc1-c1cc(-c2ccc(CNC3CCCCC3)cc2)no1
• InChI: InChI=1S/C29H30FN7O.C29H28FN5O2.C27H27N7O.C26H26N8O.C26H28N6O2/c1-29(2,17-31)27-25(30)21(12-13-33-27)23-16-35-28(32)26(36-23)24-14-22(37-38-24)19-10-8-18(9-11-19)15-34-20-6-4-3-5-7-20;1-4-29(2,3)27-25(30)21(12-13-32-27)23-15-33-28(31)26(34-23)24-14-22(35-37-24)20-10-8-18(9-11-20)6-5-7-19-16-36-17-19;28-12-10-22-14-20(11-13-30-22)24-17-32-27(29)26(33-24)25-15-23(34-35-25)19-8-6-18(7-9-19)16-31-21-4-2-1-3-5-21;27-12-10-21-14-19(11-13-29-21)22-16-31-24(28)23(32-22)26-34-33-25(35-26)18-8-6-17(7-9-18)15-30-20-4-2-1-3-5-20;27-26-25(31-23(15-30-26)19-10-11-28-21(12-19)16-33)24-13-22(32-34-24)18-8-6-17(7-9-18)14-29-20-4-2-1-3-5-20/h8-14,16,20,34H,3-7,15H2,1-2H3,(H2,32,35);1,8-15,19H,5-7,16-17H2,2-3H3,(H2,31,33);6-9,11,13-15,17,21,31H,1-5,10,16H2,(H2,29,32);6-9,11,13-14,16,20,30H,1-5,10,15H2,(H2,28,31);6-13,15,20,29,33H,1-5,14,16H2,(H2,27,30)
• InChIKey: FOPNVXXAXYRDQB-UHFFFAOYSA-N
• XLogP: 24.88
• TPSA: 615.44 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 36
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2397.84
LogP ≤ 5	24.88
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-3-fluoro-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]methanol;5-[3-fluoro-2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[3-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine?

The IUPAC name of 2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-3-fluoro-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]methanol;5-[3-fluoro-2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[3-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine (CID 158095461) is 2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-3-fluoro-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]methanol;5-[3-fluoro-2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[3-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine.

What is the SMILES notation for 2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-3-fluoro-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]methanol;5-[3-fluoro-2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[3-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine?

The canonical SMILES for 2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-3-fluoro-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]methanol;5-[3-fluoro-2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[3-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine is C#CC(C)(C)c1nccc(-c2cnc(N)c(-c3cc(-c4ccc(CCCC5COC5)cc4)no3)n2)c1F.CC(C)(C#N)c1nccc(-c2cnc(N)c(-c3cc(-c4ccc(CNC5CCCCC5)cc4)no3)n2)c1F.N#CCc1cc(-c2cnc(N)c(-c3cc(-c4ccc(CNC5CCCCC5)cc4)no3)n2)ccn1.N#CCc1cc(-c2cnc(N)c(-c3nnc(-c4ccc(CNC5CCCCC5)cc4)o3)n2)ccn1.Nc1ncc(-c2ccnc(CO)c2)nc1-c1cc(-c2ccc(CNC3CCCCC3)cc2)no1.

What is the InChIKey of 2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-3-fluoro-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]methanol;5-[3-fluoro-2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[3-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine?

The InChIKey is FOPNVXXAXYRDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN7O.C29H28FN5O2.C27H27N7O.C26H26N8O.C26H28N6O2/c1-29(2,17-31)27-25(30)21(12-13-33-27)23-16-35-28(32)26(36-23)24-14-22(37-38-24)19-10-8-18(9-11-19)15-34-20-6-4-3-5-7-20;1-4-29(2,3)27-25(30)21(12-13-32-27)23-15-33-28(31)26(34-23)24-14-22(35-37-24)20-10-8-18(9-11-20)6-5-7-19-16-36-17-19;28-12-10-22-14-20(11-13-30-22)24-17-32-27(29)26(33-24)25-15-23(34-35-25)19-8-6-18(7-9-19)16-31-21-4-2-1-3-5-21;27-12-10-21-14-19(11-13-29-21)22-16-31-24(28)23(32-22)26-34-33-25(35-26)18-8-6-17(7-9-18)15-30-20-4-2-1-3-5-20;27-26-25(31-23(15-30-26)19-10-11-28-21(12-19)16-33)24-13-22(32-34-24)18-8-6-17(7-9-18)14-29-20-4-2-1-3-5-20/h8-14,16,20,34H,3-7,15H2,1-2H3,(H2,32,35);1,8-15,19H,5-7,16-17H2,2-3H3,(H2,31,33);6-9,11,13-15,17,21,31H,1-5,10,16H2,(H2,29,32);6-9,11,13-14,16,20,30H,1-5,10,15H2,(H2,28,31);6-13,15,20,29,33H,1-5,14,16H2,(H2,27,30).

What are the key properties of 2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-3-fluoro-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]methanol;5-[3-fluoro-2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[3-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine?

2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-3-fluoro-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]methanol;5-[3-fluoro-2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[3-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine has a molecular weight of 2397.84 g/mol, XLogP of 24.88, 36 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-3-fluoro-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]methanol;5-[3-fluoro-2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[3-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine is sourced from PubChem (CID 158095461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).