2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(tert-butylamino)methyl]benzonitrile

C26H28N8O2 — CID 129060612

IUPAC2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(tert-butylamino)methyl]benzonitrile
SMILESCC(C)n1cc(-c2cnc(N)c(-c3nnc(-c4ccc(CNC(C)(C)C)cc4C#N)o3)n2)ccc1=O
InChIInChI=1S/C26H28N8O2/c1-15(2)34-14-17(7-9-21(34)35)20-13-29-23(28)22(31-20)25-33-32-24(36-25)19-8-6-16(10-18(19)11-27)12-30-26(3,4)5/h6-10,13-15,30H,12H2,1-5H3,(H2,28,29)
InChIKeyDPHJTOJKKUPLDV-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.95
Rot. Bonds6

About 2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(tert-butylamino)methyl]benzonitrile

2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(tert-butylamino)methyl]benzonitrile (PubChem CID 129060612) has the molecular formula C26H28N8O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(tert-butylamino)methyl]benzonitrile.

Molecular Properties

Compound Name2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(tert-butylamino)methyl]benzonitrile
PubChem CID129060612
Molecular FormulaC26H28N8O2
Molecular Weight484.56 g/mol
Exact Mass484.23
IUPAC Name2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(tert-butylamino)methyl]benzonitrile
SMILESCC(C)n1cc(-c2cnc(N)c(-c3nnc(-c4ccc(CNC(C)(C)C)cc4C#N)o3)n2)ccc1=O
InChIInChI=1S/C26H28N8O2/c1-15(2)34-14-17(7-9-21(34)35)20-13-29-23(28)22(31-20)25-33-32-24(36-25)19-8-6-16(10-18(19)11-27)12-30-26(3,4)5/h6-10,13-15,30H,12H2,1-5H3,(H2,28,29)
InChIKeyDPHJTOJKKUPLDV-UHFFFAOYSA-N
XLogP3.95
TPSA148.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(tert-butylamino)methyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(tert-butylamino)methyl]benzonitrile?
The IUPAC name of 2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(tert-butylamino)methyl]benzonitrile (CID 129060612) is 2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(tert-butylamino)methyl]benzonitrile.
What is the SMILES notation for 2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(tert-butylamino)methyl]benzonitrile?
The canonical SMILES for 2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(tert-butylamino)methyl]benzonitrile is CC(C)n1cc(-c2cnc(N)c(-c3nnc(-c4ccc(CNC(C)(C)C)cc4C#N)o3)n2)ccc1=O.
What is the InChIKey of 2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(tert-butylamino)methyl]benzonitrile?
The InChIKey is DPHJTOJKKUPLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O2/c1-15(2)34-14-17(7-9-21(34)35)20-13-29-23(28)22(31-20)25-33-32-24(36-25)19-8-6-16(10-18(19)11-27)12-30-26(3,4)5/h6-10,13-15,30H,12H2,1-5H3,(H2,28,29).
What are the key properties of 2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(tert-butylamino)methyl]benzonitrile?
2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(tert-butylamino)methyl]benzonitrile has a molecular weight of 484.56 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(tert-butylamino)methyl]benzonitrile is sourced from PubChem (CID 129060612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).