N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)acetamide

C23H20N6O3 — CID 46350170

About N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)acetamide

N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)acetamide (PubChem CID 46350170) has the molecular formula C23H20N6O3 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)acetamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)acetamide
• PubChem CID: 46350170
• Molecular Formula: C23H20N6O3
• Molecular Weight: 428.45 g/mol
• Exact Mass: 428.16
• IUPAC Name: N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)acetamide
• SMILES: Cc1nn(CC(=O)NCc2ccco2)c(=O)c2c(-n3cccc3)n(-c3ccccc3)nc12
• InChI: InChI=1S/C23H20N6O3/c1-16-21-20(23(31)28(25-16)15-19(30)24-14-18-10-7-13-32-18)22(27-11-5-6-12-27)29(26-21)17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,24,30)
• InChIKey: LNTLBSVOJAADRZ-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 99.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.45
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)acetamide?

The IUPAC name of N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)acetamide (CID 46350170) is N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)acetamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)acetamide?

The canonical SMILES for N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)acetamide is Cc1nn(CC(=O)NCc2ccco2)c(=O)c2c(-n3cccc3)n(-c3ccccc3)nc12.

What is the InChIKey of N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)acetamide?

The InChIKey is LNTLBSVOJAADRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3/c1-16-21-20(23(31)28(25-16)15-19(30)24-14-18-10-7-13-32-18)22(27-11-5-6-12-27)29(26-21)17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,24,30).

What are the key properties of N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)acetamide?

N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)acetamide has a molecular weight of 428.45 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)acetamide is sourced from PubChem (CID 46350170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).