2-[4-[6-[5-[3-(azetidin-3-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen

C78H82N20O4 — CID 157139966

IUPAC2-[4-[6-[5-[3-(azetidin-3-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen
SMILESCc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1cc(-c2ccc(CNC3CCCOC3)cc2)no1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2cccc(C3CNC3)c2)o1.Cc1ncc(-c2ccnc(C3(C#N)CCNCC3)c2)nc1-c1nnc(-c2ccccc2)o1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C29H30N6O2.C25H23N7O.C24H21N7O.4H2/c1-19-28(34-25(16-32-19)22-10-11-31-27(13-22)29(2,3)18-30)26-14-24(35-37-26)21-8-6-20(7-9-21)15-33-23-5-4-12-36-17-23;1-15-22(30-20(13-29-15)17-7-8-28-21(10-17)25(2,3)14-26)24-32-31-23(33-24)18-6-4-5-16(9-18)19-11-27-12-19;1-16-21(23-31-30-22(32-23)17-5-3-2-4-6-17)29-19(14-28-16)18-7-10-27-20(13-18)24(15-25)8-11-26-12-9-24;;;;/h6-11,13-14,16,23,33H,4-5,12,15,17H2,1-3H3;4-10,13,19,27H,11-12H2,1-3H3;2-7,10,13-14,26H,8-9,11-12H2,1H3;4*1H
InChIKeyAKBRJGTXQWVNJD-UHFFFAOYSA-N
MW1363.65 g/mol
LogP13.98
Rot. Bonds16

About 2-[4-[6-[5-[3-(azetidin-3-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen

2-[4-[6-[5-[3-(azetidin-3-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen (PubChem CID 157139966) has the molecular formula C78H82N20O4 and a molecular weight of 1363.65 g/mol. Its IUPAC name is 2-[4-[6-[5-[3-(azetidin-3-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen.

Molecular Properties

Compound Name2-[4-[6-[5-[3-(azetidin-3-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen
PubChem CID157139966
Molecular FormulaC78H82N20O4
Molecular Weight1363.65 g/mol
Exact Mass1362.68
IUPAC Name2-[4-[6-[5-[3-(azetidin-3-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen
SMILESCc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1cc(-c2ccc(CNC3CCCOC3)cc2)no1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2cccc(C3CNC3)c2)o1.Cc1ncc(-c2ccnc(C3(C#N)CCNCC3)c2)nc1-c1nnc(-c2ccccc2)o1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C29H30N6O2.C25H23N7O.C24H21N7O.4H2/c1-19-28(34-25(16-32-19)22-10-11-31-27(13-22)29(2,3)18-30)26-14-24(35-37-26)21-8-6-20(7-9-21)15-33-23-5-4-12-36-17-23;1-15-22(30-20(13-29-15)17-7-8-28-21(10-17)25(2,3)14-26)24-32-31-23(33-24)18-6-4-5-16(9-18)19-11-27-12-19;1-16-21(23-31-30-22(32-23)17-5-3-2-4-6-17)29-19(14-28-16)18-7-10-27-20(13-18)24(15-25)8-11-26-12-9-24;;;;/h6-11,13-14,16,23,33H,4-5,12,15,17H2,1-3H3;4-10,13,19,27H,11-12H2,1-3H3;2-7,10,13-14,26H,8-9,11-12H2,1H3;4*1H
InChIKeyAKBRJGTXQWVNJD-UHFFFAOYSA-N
XLogP13.98
TPSA336.57 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001363.65
LogP ≤ 513.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze 2-[4-[6-[5-[3-(azetidin-3-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[5-[3-(azetidin-3-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen?
The IUPAC name of 2-[4-[6-[5-[3-(azetidin-3-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen (CID 157139966) is 2-[4-[6-[5-[3-(azetidin-3-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen.
What is the SMILES notation for 2-[4-[6-[5-[3-(azetidin-3-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen?
The canonical SMILES for 2-[4-[6-[5-[3-(azetidin-3-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen is Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1cc(-c2ccc(CNC3CCCOC3)cc2)no1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2cccc(C3CNC3)c2)o1.Cc1ncc(-c2ccnc(C3(C#N)CCNCC3)c2)nc1-c1nnc(-c2ccccc2)o1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-[4-[6-[5-[3-(azetidin-3-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen?
The InChIKey is AKBRJGTXQWVNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2.C25H23N7O.C24H21N7O.4H2/c1-19-28(34-25(16-32-19)22-10-11-31-27(13-22)29(2,3)18-30)26-14-24(35-37-26)21-8-6-20(7-9-21)15-33-23-5-4-12-36-17-23;1-15-22(30-20(13-29-15)17-7-8-28-21(10-17)25(2,3)14-26)24-32-31-23(33-24)18-6-4-5-16(9-18)19-11-27-12-19;1-16-21(23-31-30-22(32-23)17-5-3-2-4-6-17)29-19(14-28-16)18-7-10-27-20(13-18)24(15-25)8-11-26-12-9-24;;;;/h6-11,13-14,16,23,33H,4-5,12,15,17H2,1-3H3;4-10,13,19,27H,11-12H2,1-3H3;2-7,10,13-14,26H,8-9,11-12H2,1H3;4*1H.
What are the key properties of 2-[4-[6-[5-[3-(azetidin-3-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen?
2-[4-[6-[5-[3-(azetidin-3-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen has a molecular weight of 1363.65 g/mol, XLogP of 13.98, 16 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[5-[3-(azetidin-3-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen is sourced from PubChem (CID 157139966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).