1-(3,4-dimethylphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide

C27H26N6O3 — CID 122306659

About 1-(3,4-dimethylphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide

1-(3,4-dimethylphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 122306659) has the molecular formula C27H26N6O3 and a molecular weight of 482.54 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(3,4-dimethylphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 122306659
• Molecular Formula: C27H26N6O3
• Molecular Weight: 482.54 g/mol
• Exact Mass: 482.21
• IUPAC Name: 1-(3,4-dimethylphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: Cc1ccc(N2CC(C(=O)Nc3ccc(Oc4ccc(-n5ccnc5C)nn4)cc3)CC2=O)cc1C
• InChI: InChI=1S/C27H26N6O3/c1-17-4-7-22(14-18(17)2)33-16-20(15-26(33)34)27(35)29-21-5-8-23(9-6-21)36-25-11-10-24(30-31-25)32-13-12-28-19(32)3/h4-14,20H,15-16H2,1-3H3,(H,29,35)
• InChIKey: GSBIYGWRCQNJDY-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 102.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.54
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-(3,4-dimethylphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide (CID 122306659) is 1-(3,4-dimethylphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-(3,4-dimethylphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3ccc(Oc4ccc(-n5ccnc5C)nn4)cc3)CC2=O)cc1C.

What is the InChIKey of 1-(3,4-dimethylphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is GSBIYGWRCQNJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3/c1-17-4-7-22(14-18(17)2)33-16-20(15-26(33)34)27(35)29-21-5-8-23(9-6-21)36-25-11-10-24(30-31-25)32-13-12-28-19(32)3/h4-14,20H,15-16H2,1-3H3,(H,29,35).

What are the key properties of 1-(3,4-dimethylphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide?

1-(3,4-dimethylphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dimethylphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122306659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).