2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;2-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]propanenitrile;bis(2-[4-[5-amino-6-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile)

C145H133N41O6S — CID 158345813

About 2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;2-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]propanenitrile;bis(2-[4-[5-amino-6-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile)

2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;2-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]propanenitrile;bis(2-[4-[5-amino-6-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile) (PubChem CID 158345813) has the molecular formula C145H133N41O6S and a molecular weight of 2578.01 g/mol. Its IUPAC name is 2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;2-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]propanenitrile;bis(2-[4-[5-amino-6-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile).

Molecular Properties

• Compound Name: 2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;2-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]propanenitrile;bis(2-[4-[5-amino-6-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile)
• PubChem CID: 158345813
• Molecular Formula: C145H133N41O6S
• Molecular Weight: 2578.01 g/mol
• Exact Mass: 2576.11
• IUPAC Name: 2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;2-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]propanenitrile;bis(2-[4-[5-amino-6-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile)
• SMILES: CC(C#N)c1cc(-c2cnc(N)c(-c3cc(-c4ccccc4)no3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3cc(-c4ccc(CNC5CCCCC5)cc4)no3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc5c(c4)CCCC5)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc5c(c4)CCCC5)o3)n2)ccn1.Cc1ccc(-c2cc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)on2)cc1.Cc1ccsc1-c1nnc(-c2nc(-c3ccnc(C4(C#N)CCNCC4)c3)cnc2N)o1
• InChI: InChI=1S/C29H31N7O.2C25H23N7O.C23H20N6O.C22H20N8OS.C21H16N6O/c1-29(2,18-30)26-14-21(12-13-32-26)24-17-34-28(31)27(35-24)25-15-23(36-37-25)20-10-8-19(9-11-20)16-33-22-6-4-3-5-7-22;2*1-25(2,14-26)20-12-17(9-10-28-20)19-13-29-22(27)21(30-19)24-32-31-23(33-24)18-8-7-15-5-3-4-6-16(15)11-18;1-14-4-6-15(7-5-14)17-11-19(30-29-17)21-22(25)27-12-18(28-21)16-8-9-26-20(10-16)23(2,3)13-24;1-13-3-9-32-18(13)21-30-29-20(31-21)17-19(24)27-11-15(28-17)14-2-6-26-16(10-14)22(12-23)4-7-25-8-5-22;1-13(11-22)16-9-15(7-8-24-16)18-12-25-21(23)20(26-18)19-10-17(27-28-19)14-5-3-2-4-6-14/h8-15,17,22,33H,3-7,16H2,1-2H3,(H2,31,34);2*7-13H,3-6H2,1-2H3,(H2,27,29);4-12H,1-3H3,(H2,25,27);2-3,6,9-11,25H,4-5,7-8H2,1H3,(H2,24,27);2-10,12-13H,1H3,(H2,23,25)
• InChIKey: GRSJDYOVNKTARL-UHFFFAOYSA-N
• XLogP: 26.68
• TPSA: 749.79 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 48
• Rotatable Bonds: 27
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2578.01
LogP ≤ 5	26.68
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;2-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]propanenitrile;bis(2-[4-[5-amino-6-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile)?

The IUPAC name of 2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;2-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]propanenitrile;bis(2-[4-[5-amino-6-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile) (CID 158345813) is 2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;2-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]propanenitrile;bis(2-[4-[5-amino-6-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile).

What is the SMILES notation for 2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;2-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]propanenitrile;bis(2-[4-[5-amino-6-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile)?

The canonical SMILES for 2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;2-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]propanenitrile;bis(2-[4-[5-amino-6-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile) is CC(C#N)c1cc(-c2cnc(N)c(-c3cc(-c4ccccc4)no3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3cc(-c4ccc(CNC5CCCCC5)cc4)no3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc5c(c4)CCCC5)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc5c(c4)CCCC5)o3)n2)ccn1.Cc1ccc(-c2cc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)on2)cc1.Cc1ccsc1-c1nnc(-c2nc(-c3ccnc(C4(C#N)CCNCC4)c3)cnc2N)o1.

What is the InChIKey of 2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;2-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]propanenitrile;bis(2-[4-[5-amino-6-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile)?

The InChIKey is GRSJDYOVNKTARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O.2C25H23N7O.C23H20N6O.C22H20N8OS.C21H16N6O/c1-29(2,18-30)26-14-21(12-13-32-26)24-17-34-28(31)27(35-24)25-15-23(36-37-25)20-10-8-19(9-11-20)16-33-22-6-4-3-5-7-22;2*1-25(2,14-26)20-12-17(9-10-28-20)19-13-29-22(27)21(30-19)24-32-31-23(33-24)18-8-7-15-5-3-4-6-16(15)11-18;1-14-4-6-15(7-5-14)17-11-19(30-29-17)21-22(25)27-12-18(28-21)16-8-9-26-20(10-16)23(2,3)13-24;1-13-3-9-32-18(13)21-30-29-20(31-21)17-19(24)27-11-15(28-17)14-2-6-26-16(10-14)22(12-23)4-7-25-8-5-22;1-13(11-22)16-9-15(7-8-24-16)18-12-25-21(23)20(26-18)19-10-17(27-28-19)14-5-3-2-4-6-14/h8-15,17,22,33H,3-7,16H2,1-2H3,(H2,31,34);2*7-13H,3-6H2,1-2H3,(H2,27,29);4-12H,1-3H3,(H2,25,27);2-3,6,9-11,25H,4-5,7-8H2,1H3,(H2,24,27);2-10,12-13H,1H3,(H2,23,25).

What are the key properties of 2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;2-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]propanenitrile;bis(2-[4-[5-amino-6-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile)?

2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;2-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]propanenitrile;bis(2-[4-[5-amino-6-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile) has a molecular weight of 2578.01 g/mol, XLogP of 26.68, 27 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;2-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]propanenitrile;bis(2-[4-[5-amino-6-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile) is sourced from PubChem (CID 158345813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).