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

C26H27N5O2 — CID 58070490

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

1-[(2-methylcyclopropyl)methyl]-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one (PubChem CID 58070490) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 1-[(2-methylcyclopropyl)methyl]-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-[(2-methylcyclopropyl)methyl]-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one
• PubChem CID: 58070490
• Molecular Formula: C26H27N5O2
• Molecular Weight: 441.54 g/mol
• Exact Mass: 441.22
• IUPAC Name: 1-[(2-methylcyclopropyl)methyl]-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(CC5CC5C)c4)cnc3C)on2)cc1
• InChI: InChI=1S/C26H27N5O2/c1-16-10-21(16)15-31-14-20(8-9-25(31)32)23-13-28-17(2)26(29-23)24-11-22(30-33-24)19-6-4-18(5-7-19)12-27-3/h4-9,11,13-14,16,21,27H,10,12,15H2,1-3H3
• InChIKey: NMYMFARGIZJSHH-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[(2-methylcyclopropyl)methyl]-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one (CID 58070490) is 1-[(2-methylcyclopropyl)methyl]-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-[(2-methylcyclopropyl)methyl]-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one?

The canonical SMILES for 1-[(2-methylcyclopropyl)methyl]-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(CC5CC5C)c4)cnc3C)on2)cc1.

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

The InChIKey is NMYMFARGIZJSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-16-10-21(16)15-31-14-20(8-9-25(31)32)23-13-28-17(2)26(29-23)24-11-22(30-33-24)19-6-4-18(5-7-19)12-27-3/h4-9,11,13-14,16,21,27H,10,12,15H2,1-3H3.

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

1-[(2-methylcyclopropyl)methyl]-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 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-methylcyclopropyl)methyl]-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one is sourced from PubChem (CID 58070490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).