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;molecular hydrogen

C23H24N8O — CID 158426336

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;molecular hydrogen
SMILESCC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc5c(c4)CNC5)o3)n2)ccn1.[H][H].[H][H]
InChIInChI=1S/C23H20N8O.2H2/c1-23(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;;/h3-8,11,26H,9-10H2,1-2H3,(H2,25,28);2*1H
InChIKeyHBCBGQPLJZVNCC-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.73
Rot. Bonds4

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;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;molecular hydrogen (PubChem CID 158426336) has the molecular formula C23H24N8O and a molecular weight of 428.50 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;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;molecular hydrogen
PubChem CID158426336
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
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;molecular hydrogen
SMILESCC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc5c(c4)CNC5)o3)n2)ccn1.[H][H].[H][H]
InChIInChI=1S/C23H20N8O.2H2/c1-23(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;;/h3-8,11,26H,9-10H2,1-2H3,(H2,25,28);2*1H
InChIKeyHBCBGQPLJZVNCC-UHFFFAOYSA-N
XLogP3.73
TPSA139.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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;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;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;molecular hydrogen (CID 158426336) 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;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;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;molecular hydrogen is CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc5c(c4)CNC5)o3)n2)ccn1.[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;molecular hydrogen?
The InChIKey is HBCBGQPLJZVNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O.2H2/c1-23(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;;/h3-8,11,26H,9-10H2,1-2H3,(H2,25,28);2*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;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;molecular hydrogen has a molecular weight of 428.50 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 9 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;molecular hydrogen is sourced from PubChem (CID 158426336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).