(2R)-N-[(2,5-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide

C26H29N5O4 — CID 92691489

About (2R)-N-[(2,5-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide

(2R)-N-[(2,5-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide (PubChem CID 92691489) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is (2R)-N-[(2,5-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide.

Molecular Properties

• Compound Name: (2R)-N-[(2,5-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide
• PubChem CID: 92691489
• Molecular Formula: C26H29N5O4
• Molecular Weight: 475.55 g/mol
• Exact Mass: 475.22
• IUPAC Name: (2R)-N-[(2,5-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide
• SMILES: CC[C@H](C(=O)NCc1cc(OC)ccc1OC)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O
• InChI: InChI=1S/C26H29N5O4/c1-6-21(25(32)27-15-18-14-20(34-4)12-13-22(18)35-5)31-26(33)24-23(16(2)28-31)17(3)30(29-24)19-10-8-7-9-11-19/h7-14,21H,6,15H2,1-5H3,(H,27,32)/t21-/m1/s1
• InChIKey: FWTWKXOEBWPZQX-OAQYLSRUSA-N
• XLogP: 3.48
• TPSA: 100.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.55
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2,5-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide?

The IUPAC name of (2R)-N-[(2,5-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide (CID 92691489) is (2R)-N-[(2,5-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide.

What is the SMILES notation for (2R)-N-[(2,5-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide?

The canonical SMILES for (2R)-N-[(2,5-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide is CC[C@H](C(=O)NCc1cc(OC)ccc1OC)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O.

What is the InChIKey of (2R)-N-[(2,5-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide?

The InChIKey is FWTWKXOEBWPZQX-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-6-21(25(32)27-15-18-14-20(34-4)12-13-22(18)35-5)31-26(33)24-23(16(2)28-31)17(3)30(29-24)19-10-8-7-9-11-19/h7-14,21H,6,15H2,1-5H3,(H,27,32)/t21-/m1/s1.

What are the key properties of (2R)-N-[(2,5-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide?

(2R)-N-[(2,5-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide has a molecular weight of 475.55 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2,5-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide is sourced from PubChem (CID 92691489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).