2-[4-[5-amino-6-[5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-(pyrrolidin-2-ylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen

C77H88N22O4S — CID 157246247

IUPAC2-[4-[5-amino-6-[5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-(pyrrolidin-2-ylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen
SMILESCC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4cc5c(s4)CCNC5)o3)n2)ccn1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1cc(-c2ccc(CNC3CCOC3)cc2)no1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(NCC3CCCN3)cc2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C28H28N6O2.C27H28N8O.C22H20N8OS.6H2/c1-18-27(33-24(15-31-18)21-8-10-30-26(12-21)28(2,3)17-29)25-13-23(34-36-25)20-6-4-19(5-7-20)14-32-22-9-11-35-16-22;1-17-24(33-22(15-31-17)19-10-12-30-23(13-19)27(2,3)16-28)26-35-34-25(36-26)18-6-8-20(9-7-18)32-14-21-5-4-11-29-21;1-22(2,11-23)17-8-12(3-6-26-17)14-10-27-19(24)18(28-14)21-30-29-20(31-21)16-7-13-9-25-5-4-15(13)32-16;;;;;;/h4-8,10,12-13,15,22,32H,9,11,14,16H2,1-3H3;6-10,12-13,15,21,29,32H,4-5,11,14H2,1-3H3;3,6-8,10,25H,4-5,9H2,1-2H3,(H2,24,27);6*1H
InChIKeyAVUMILXCJCWEBY-UHFFFAOYSA-N
MW1417.77 g/mol
LogP14.20
Rot. Bonds18

About 2-[4-[5-amino-6-[5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-(pyrrolidin-2-ylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen

2-[4-[5-amino-6-[5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-(pyrrolidin-2-ylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen (PubChem CID 157246247) has the molecular formula C77H88N22O4S and a molecular weight of 1417.77 g/mol. Its IUPAC name is 2-[4-[5-amino-6-[5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-(pyrrolidin-2-ylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen.

Molecular Properties

Compound Name2-[4-[5-amino-6-[5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-(pyrrolidin-2-ylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen
PubChem CID157246247
Molecular FormulaC77H88N22O4S
Molecular Weight1417.77 g/mol
Exact Mass1416.71
IUPAC Name2-[4-[5-amino-6-[5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-(pyrrolidin-2-ylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen
SMILESCC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4cc5c(s4)CCNC5)o3)n2)ccn1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1cc(-c2ccc(CNC3CCOC3)cc2)no1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(NCC3CCCN3)cc2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C28H28N6O2.C27H28N8O.C22H20N8OS.6H2/c1-18-27(33-24(15-31-18)21-8-10-30-26(12-21)28(2,3)17-29)25-13-23(34-36-25)20-6-4-19(5-7-20)14-32-22-9-11-35-16-22;1-17-24(33-22(15-31-17)19-10-12-30-23(13-19)27(2,3)16-28)26-35-34-25(36-26)18-6-8-20(9-7-18)32-14-21-5-4-11-29-21;1-22(2,11-23)17-8-12(3-6-26-17)14-10-27-19(24)18(28-14)21-30-29-20(31-21)16-7-13-9-25-5-4-15(13)32-16;;;;;;/h4-8,10,12-13,15,22,32H,9,11,14,16H2,1-3H3;6-10,12-13,15,21,29,32H,4-5,11,14H2,1-3H3;3,6-8,10,25H,4-5,9H2,1-2H3,(H2,24,27);6*1H
InChIKeyAVUMILXCJCWEBY-UHFFFAOYSA-N
XLogP14.20
TPSA374.62 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds18
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001417.77
LogP ≤ 514.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze 2-[4-[5-amino-6-[5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-(pyrrolidin-2-ylmethylamino)phenyl]-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-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-(pyrrolidin-2-ylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen?
The IUPAC name of 2-[4-[5-amino-6-[5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-(pyrrolidin-2-ylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen (CID 157246247) is 2-[4-[5-amino-6-[5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-(pyrrolidin-2-ylmethylamino)phenyl]-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-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-(pyrrolidin-2-ylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen?
The canonical SMILES for 2-[4-[5-amino-6-[5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-(pyrrolidin-2-ylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen is CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4cc5c(s4)CCNC5)o3)n2)ccn1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1cc(-c2ccc(CNC3CCOC3)cc2)no1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(NCC3CCCN3)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-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-(pyrrolidin-2-ylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen?
The InChIKey is AVUMILXCJCWEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2.C27H28N8O.C22H20N8OS.6H2/c1-18-27(33-24(15-31-18)21-8-10-30-26(12-21)28(2,3)17-29)25-13-23(34-36-25)20-6-4-19(5-7-20)14-32-22-9-11-35-16-22;1-17-24(33-22(15-31-17)19-10-12-30-23(13-19)27(2,3)16-28)26-35-34-25(36-26)18-6-8-20(9-7-18)32-14-21-5-4-11-29-21;1-22(2,11-23)17-8-12(3-6-26-17)14-10-27-19(24)18(28-14)21-30-29-20(31-21)16-7-13-9-25-5-4-15(13)32-16;;;;;;/h4-8,10,12-13,15,22,32H,9,11,14,16H2,1-3H3;6-10,12-13,15,21,29,32H,4-5,11,14H2,1-3H3;3,6-8,10,25H,4-5,9H2,1-2H3,(H2,24,27);6*1H.
What are the key properties of 2-[4-[5-amino-6-[5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-(pyrrolidin-2-ylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen?
2-[4-[5-amino-6-[5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-(pyrrolidin-2-ylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen has a molecular weight of 1417.77 g/mol, XLogP of 14.20, 18 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-amino-6-[5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-(pyrrolidin-2-ylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen is sourced from PubChem (CID 157246247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).