2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile

C27H26N6O2 — CID 58070382

About 2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile

2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile (PubChem CID 58070382) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile.

Molecular Properties

• Compound Name: 2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile
• PubChem CID: 58070382
• Molecular Formula: C27H26N6O2
• Molecular Weight: 466.55 g/mol
• Exact Mass: 466.21
• IUPAC Name: 2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile
• SMILES: Cc1ncc(-c2ccc(=O)n(C(C)(C)C#N)c2)nc1-c1cc(-c2ccc(CNC3CC3)cc2)no1
• InChI: InChI=1S/C27H26N6O2/c1-17-26(31-23(14-29-17)20-8-11-25(34)33(15-20)27(2,3)16-28)24-12-22(32-35-24)19-6-4-18(5-7-19)13-30-21-9-10-21/h4-8,11-12,14-15,21,30H,9-10,13H2,1-3H3
• InChIKey: GQCDZDKNRUFRCA-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 109.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.55
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile?

The IUPAC name of 2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile (CID 58070382) is 2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile.

What is the SMILES notation for 2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile?

The canonical SMILES for 2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile is Cc1ncc(-c2ccc(=O)n(C(C)(C)C#N)c2)nc1-c1cc(-c2ccc(CNC3CC3)cc2)no1.

What is the InChIKey of 2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile?

The InChIKey is GQCDZDKNRUFRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-17-26(31-23(14-29-17)20-8-11-25(34)33(15-20)27(2,3)16-28)24-12-22(32-35-24)19-6-4-18(5-7-19)13-30-21-9-10-21/h4-8,11-12,14-15,21,30H,9-10,13H2,1-3H3.

What are the key properties of 2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile?

2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile has a molecular weight of 466.55 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile is sourced from PubChem (CID 58070382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).