2-[4-[5-amino-6-[5-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(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-[5-(4-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen

C74H80N22O3 — CID 157287665

IUPAC2-[4-[5-amino-6-[5-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(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-[5-(4-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen
SMILESCC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc5c(c4)CNC5)o3)n2)ccn1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(C3CCCN3)cc2)o1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(C3CNC3)cc2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H25N7O.C25H23N7O.C23H20N8O.6H2/c1-16-23(31-21(14-30-16)19-10-12-29-22(13-19)26(2,3)15-27)25-33-32-24(34-25)18-8-6-17(7-9-18)20-5-4-11-28-20;1-15-22(30-20(13-29-15)18-8-9-28-21(10-18)25(2,3)14-26)24-32-31-23(33-24)17-6-4-16(5-7-17)19-11-27-12-19;1-23(2,12-24)18-8-13(5-6-27-18)17-11-28-20(25)19(29-17)22-31-30-21(32-22)14-3-4-15-9-26-10-16(15)7-14;;;;;;/h6-10,12-14,20,28H,4-5,11H2,1-3H3;4-10,13,19,27H,11-12H2,1-3H3;3-8,11,26H,9-10H2,1-2H3,(H2,25,28);6*1H
InChIKeyBAKUANFDFNHHFL-UHFFFAOYSA-N
MW1325.60 g/mol
LogP13.56
Rot. Bonds14

About 2-[4-[5-amino-6-[5-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(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-[5-(4-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen

2-[4-[5-amino-6-[5-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(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-[5-(4-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen (PubChem CID 157287665) has the molecular formula C74H80N22O3 and a molecular weight of 1325.60 g/mol. Its IUPAC name is 2-[4-[5-amino-6-[5-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(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-[5-(4-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen.

Molecular Properties

Compound Name2-[4-[5-amino-6-[5-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(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-[5-(4-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen
PubChem CID157287665
Molecular FormulaC74H80N22O3
Molecular Weight1325.60 g/mol
Exact Mass1324.68
IUPAC Name2-[4-[5-amino-6-[5-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(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-[5-(4-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen
SMILESCC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc5c(c4)CNC5)o3)n2)ccn1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(C3CCCN3)cc2)o1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(C3CNC3)cc2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H25N7O.C25H23N7O.C23H20N8O.6H2/c1-16-23(31-21(14-30-16)19-10-12-29-22(13-19)26(2,3)15-27)25-33-32-24(34-25)18-8-6-17(7-9-18)20-5-4-11-28-20;1-15-22(30-20(13-29-15)18-8-9-28-21(10-18)25(2,3)14-26)24-32-31-23(33-24)17-6-4-16(5-7-17)19-11-27-12-19;1-23(2,12-24)18-8-13(5-6-27-18)17-11-28-20(25)19(29-17)22-31-30-21(32-22)14-3-4-15-9-26-10-16(15)7-14;;;;;;/h6-10,12-14,20,28H,4-5,11H2,1-3H3;4-10,13,19,27H,11-12H2,1-3H3;3-8,11,26H,9-10H2,1-2H3,(H2,25,28);6*1H
InChIKeyBAKUANFDFNHHFL-UHFFFAOYSA-N
XLogP13.56
TPSA366.25 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds14
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001325.60
LogP ≤ 513.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze 2-[4-[5-amino-6-[5-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(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-[5-(4-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-6-[5-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(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-[5-(4-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen?
The IUPAC name of 2-[4-[5-amino-6-[5-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(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-[5-(4-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen (CID 157287665) is 2-[4-[5-amino-6-[5-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(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-[5-(4-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen.
What is the SMILES notation for 2-[4-[5-amino-6-[5-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(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-[5-(4-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen?
The canonical SMILES for 2-[4-[5-amino-6-[5-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(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-[5-(4-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen is CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc5c(c4)CNC5)o3)n2)ccn1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(C3CCCN3)cc2)o1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(C3CNC3)cc2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-[4-[5-amino-6-[5-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(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-[5-(4-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen?
The InChIKey is BAKUANFDFNHHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O.C25H23N7O.C23H20N8O.6H2/c1-16-23(31-21(14-30-16)19-10-12-29-22(13-19)26(2,3)15-27)25-33-32-24(34-25)18-8-6-17(7-9-18)20-5-4-11-28-20;1-15-22(30-20(13-29-15)18-8-9-28-21(10-18)25(2,3)14-26)24-32-31-23(33-24)17-6-4-16(5-7-17)19-11-27-12-19;1-23(2,12-24)18-8-13(5-6-27-18)17-11-28-20(25)19(29-17)22-31-30-21(32-22)14-3-4-15-9-26-10-16(15)7-14;;;;;;/h6-10,12-14,20,28H,4-5,11H2,1-3H3;4-10,13,19,27H,11-12H2,1-3H3;3-8,11,26H,9-10H2,1-2H3,(H2,25,28);6*1H.
What are the key properties of 2-[4-[5-amino-6-[5-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(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-[5-(4-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen?
2-[4-[5-amino-6-[5-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(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-[5-(4-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen has a molecular weight of 1325.60 g/mol, XLogP of 13.56, 14 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-amino-6-[5-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(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-[5-(4-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen is sourced from PubChem (CID 157287665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).