1-cyclopentyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one

C26H27N5O2 — CID 58070487

About 1-cyclopentyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one

1-cyclopentyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one (PubChem CID 58070487) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 1-cyclopentyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-cyclopentyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one
• PubChem CID: 58070487
• Molecular Formula: C26H27N5O2
• Molecular Weight: 441.54 g/mol
• Exact Mass: 441.22
• IUPAC Name: 1-cyclopentyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one
• SMILES: CNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(C5CCCC5)c4)cnc3C)on2)cc1
• InChI: InChI=1S/C26H27N5O2/c1-17-26(24-13-22(30-33-24)19-9-7-18(8-10-19)14-27-2)29-23(15-28-17)20-11-12-25(32)31(16-20)21-5-3-4-6-21/h7-13,15-16,21,27H,3-6,14H2,1-2H3
• InChIKey: NNDVIQAGNZBINH-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one?

The IUPAC name of 1-cyclopentyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one (CID 58070487) is 1-cyclopentyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one.

What is the SMILES notation for 1-cyclopentyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one?

The canonical SMILES for 1-cyclopentyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one is CNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(C5CCCC5)c4)cnc3C)on2)cc1.

What is the InChIKey of 1-cyclopentyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one?

The InChIKey is NNDVIQAGNZBINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-17-26(24-13-22(30-33-24)19-9-7-18(8-10-19)14-27-2)29-23(15-28-17)20-11-12-25(32)31(16-20)21-5-3-4-6-21/h7-13,15-16,21,27H,3-6,14H2,1-2H3.

What are the key properties of 1-cyclopentyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one?

1-cyclopentyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one has a molecular weight of 441.54 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one is sourced from PubChem (CID 58070487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).