1-methyl-5-[2-methyl-3-[(4R)-3-methyl-2-oxo-4-phenylimidazolidin-1-yl]phenyl]-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one

C33H34N6O4 — CID 90281170

About 1-methyl-5-[2-methyl-3-[(4R)-3-methyl-2-oxo-4-phenylimidazolidin-1-yl]phenyl]-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one

1-methyl-5-[2-methyl-3-[(4R)-3-methyl-2-oxo-4-phenylimidazolidin-1-yl]phenyl]-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one (PubChem CID 90281170) has the molecular formula C33H34N6O4 and a molecular weight of 578.67 g/mol. Its IUPAC name is 1-methyl-5-[2-methyl-3-[(4R)-3-methyl-2-oxo-4-phenylimidazolidin-1-yl]phenyl]-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one.

Molecular Properties

• Compound Name: 1-methyl-5-[2-methyl-3-[(4R)-3-methyl-2-oxo-4-phenylimidazolidin-1-yl]phenyl]-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
• PubChem CID: 90281170
• Molecular Formula: C33H34N6O4
• Molecular Weight: 578.67 g/mol
• Exact Mass: 578.26
• IUPAC Name: 1-methyl-5-[2-methyl-3-[(4R)-3-methyl-2-oxo-4-phenylimidazolidin-1-yl]phenyl]-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
• SMILES: Cc1c(-c2cn(C)c(=O)c(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)cccc1N1C[C@@H](c2ccccc2)N(C)C1=O
• InChI: InChI=1S/C33H34N6O4/c1-22-26(10-7-11-28(22)39-21-29(37(3)33(39)42)23-8-5-4-6-9-23)27-20-36(2)32(41)30(35-27)34-25-14-12-24(13-15-25)31(40)38-16-18-43-19-17-38/h4-15,20,29H,16-19,21H2,1-3H3,(H,34,35)/t29-/m0/s1
• InChIKey: JUOOVWZQNKQEDA-LJAQVGFWSA-N
• XLogP: 4.58
• TPSA: 100.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.67
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-methyl-3-[(4R)-3-methyl-2-oxo-4-phenylimidazolidin-1-yl]phenyl]-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one?

The IUPAC name of 1-methyl-5-[2-methyl-3-[(4R)-3-methyl-2-oxo-4-phenylimidazolidin-1-yl]phenyl]-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one (CID 90281170) is 1-methyl-5-[2-methyl-3-[(4R)-3-methyl-2-oxo-4-phenylimidazolidin-1-yl]phenyl]-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one.

What is the SMILES notation for 1-methyl-5-[2-methyl-3-[(4R)-3-methyl-2-oxo-4-phenylimidazolidin-1-yl]phenyl]-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one?

The canonical SMILES for 1-methyl-5-[2-methyl-3-[(4R)-3-methyl-2-oxo-4-phenylimidazolidin-1-yl]phenyl]-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one is Cc1c(-c2cn(C)c(=O)c(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)cccc1N1C[C@@H](c2ccccc2)N(C)C1=O.

What is the InChIKey of 1-methyl-5-[2-methyl-3-[(4R)-3-methyl-2-oxo-4-phenylimidazolidin-1-yl]phenyl]-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one?

The InChIKey is JUOOVWZQNKQEDA-LJAQVGFWSA-N. The full InChI is InChI=1S/C33H34N6O4/c1-22-26(10-7-11-28(22)39-21-29(37(3)33(39)42)23-8-5-4-6-9-23)27-20-36(2)32(41)30(35-27)34-25-14-12-24(13-15-25)31(40)38-16-18-43-19-17-38/h4-15,20,29H,16-19,21H2,1-3H3,(H,34,35)/t29-/m0/s1.

What are the key properties of 1-methyl-5-[2-methyl-3-[(4R)-3-methyl-2-oxo-4-phenylimidazolidin-1-yl]phenyl]-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one?

1-methyl-5-[2-methyl-3-[(4R)-3-methyl-2-oxo-4-phenylimidazolidin-1-yl]phenyl]-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one has a molecular weight of 578.67 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-[2-methyl-3-[(4R)-3-methyl-2-oxo-4-phenylimidazolidin-1-yl]phenyl]-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one is sourced from PubChem (CID 90281170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).