N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetamide

C23H18ClF3N4O2 — CID 20893999

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetamide (PubChem CID 20893999) has the molecular formula C23H18ClF3N4O2 and a molecular weight of 474.87 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetamide
• PubChem CID: 20893999
• Molecular Formula: C23H18ClF3N4O2
• Molecular Weight: 474.87 g/mol
• Exact Mass: 474.11
• IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetamide
• SMILES: Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl
• InChI: InChI=1S/C23H18ClF3N4O2/c1-13-17-11-28-31(16-6-4-3-5-7-16)22(33)21(17)14(2)30(13)12-20(32)29-19-10-15(23(25,26)27)8-9-18(19)24/h3-11H,12H2,1-2H3,(H,29,32)
• InChIKey: MPHGHPFPCHZCRB-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 68.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.87
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetamide?

The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetamide (CID 20893999) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetamide.

What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetamide?

The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetamide is Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl.

What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetamide?

The InChIKey is MPHGHPFPCHZCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N4O2/c1-13-17-11-28-31(16-6-4-3-5-7-16)22(33)21(17)14(2)30(13)12-20(32)29-19-10-15(23(25,26)27)8-9-18(19)24/h3-11H,12H2,1-2H3,(H,29,32).

What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetamide?

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetamide has a molecular weight of 474.87 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetamide is sourced from PubChem (CID 20893999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).