3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]oxane-4-carbonitrile;molecular hydrogen

C₇₁H₆₅N₁₇O₄S — CID 158399046

About 3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]oxane-4-carbonitrile;molecular hydrogen

3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]oxane-4-carbonitrile;molecular hydrogen (PubChem CID 158399046) has the molecular formula C₇₁H₆₅N₁₇O₄S and a molecular weight of 1252.48 g/mol. Its IUPAC name is 3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]oxane-4-carbonitrile;molecular hydrogen.

Molecular Properties

• Compound Name: 3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]oxane-4-carbonitrile;molecular hydrogen
• PubChem CID: 158399046
• Molecular Formula: C₇₁H₆₅N₁₇O₄S
• Molecular Weight: 1252.48 g/mol
• Exact Mass: 1251.51
• IUPAC Name: 3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]oxane-4-carbonitrile;molecular hydrogen
• SMILES: Cc1ccsc1-c1cc(-c2nc(-c3ccnc(C(C)(C)C#N)c3)cnc2C)on1.Cc1ncc(-c2ccnc(C3(C#N)CCOCC3)c2)nc1-c1cc(-c2ccccc2)no1.N#CC1(c2cc(-c3cnc(N)c(-c4cc(-c5ccccc5)no4)n3)ccn2)CCCNC1.[H][H].[H][H]
• InChI: InChI=1S/C25H21N5O2.C24H21N7O.C22H19N5OS.2H2/c1-17-24(22-14-20(30-32-22)18-5-3-2-4-6-18)29-21(15-28-17)19-7-10-27-23(13-19)25(16-26)8-11-31-12-9-25;25-14-24(8-4-9-27-15-24)21-11-17(7-10-28-21)19-13-29-23(26)22(30-19)20-12-18(31-32-20)16-5-2-1-3-6-16;1-13-6-8-29-21(13)16-10-18(28-27-16)20-14(2)25-11-17(26-20)15-5-7-24-19(9-15)22(3,4)12-23;;/h2-7,10,13-15H,8-9,11-12H2,1H3;1-3,5-7,10-13,27H,4,8-9,15H2,(H2,26,29);5-11H,1-4H3;2*1H
• InChIKey: GXWKGUOPQKKGND-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 312.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1252.48
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]oxane-4-carbonitrile;molecular hydrogen?

The IUPAC name of 3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]oxane-4-carbonitrile;molecular hydrogen (CID 158399046) is 3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]oxane-4-carbonitrile;molecular hydrogen.

What is the SMILES notation for 3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]oxane-4-carbonitrile;molecular hydrogen?

The canonical SMILES for 3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]oxane-4-carbonitrile;molecular hydrogen is Cc1ccsc1-c1cc(-c2nc(-c3ccnc(C(C)(C)C#N)c3)cnc2C)on1.Cc1ncc(-c2ccnc(C3(C#N)CCOCC3)c2)nc1-c1cc(-c2ccccc2)no1.N#CC1(c2cc(-c3cnc(N)c(-c4cc(-c5ccccc5)no4)n3)ccn2)CCCNC1.[H][H].[H][H].

What is the InChIKey of 3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]oxane-4-carbonitrile;molecular hydrogen?

The InChIKey is GXWKGUOPQKKGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2.C24H21N7O.C22H19N5OS.2H2/c1-17-24(22-14-20(30-32-22)18-5-3-2-4-6-18)29-21(15-28-17)19-7-10-27-23(13-19)25(16-26)8-11-31-12-9-25;25-14-24(8-4-9-27-15-24)21-11-17(7-10-28-21)19-13-29-23(26)22(30-19)20-12-18(31-32-20)16-5-2-1-3-6-16;1-13-6-8-29-21(13)16-10-18(28-27-16)20-14(2)25-11-17(26-20)15-5-7-24-19(9-15)22(3,4)12-23;;/h2-7,10,13-15H,8-9,11-12H2,1H3;1-3,5-7,10-13,27H,4,8-9,15H2,(H2,26,29);5-11H,1-4H3;2*1H.

What are the key properties of 3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]oxane-4-carbonitrile;molecular hydrogen?

3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]oxane-4-carbonitrile;molecular hydrogen has a molecular weight of 1252.48 g/mol, XLogP of 14.16, 12 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]oxane-4-carbonitrile;molecular hydrogen is sourced from PubChem (CID 158399046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158399046 — identifiers, structure, computed properties (public domain)

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