1-[4-(6-methoxy-7,8-dimethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine

C25H26N4O — CID 70818207

About 1-[4-(6-methoxy-7,8-dimethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine

1-[4-(6-methoxy-7,8-dimethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine (PubChem CID 70818207) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[4-(6-methoxy-7,8-dimethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

• Compound Name: 1-[4-(6-methoxy-7,8-dimethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
• PubChem CID: 70818207
• Molecular Formula: C25H26N4O
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.21
• IUPAC Name: 1-[4-(6-methoxy-7,8-dimethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
• SMILES: COc1nn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c(C)c1C
• InChI: InChI=1S/C25H26N4O/c1-16-17(2)24(30-3)28-29-22(19-8-5-4-6-9-19)21(27-23(16)29)18-10-12-20(13-11-18)25(26)14-7-15-25/h4-6,8-13H,7,14-15,26H2,1-3H3
• InChIKey: LSOAHXAXBYIFRU-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 65.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxy-7,8-dimethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?

The IUPAC name of 1-[4-(6-methoxy-7,8-dimethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine (CID 70818207) is 1-[4-(6-methoxy-7,8-dimethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine.

What is the SMILES notation for 1-[4-(6-methoxy-7,8-dimethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?

The canonical SMILES for 1-[4-(6-methoxy-7,8-dimethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine is COc1nn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c(C)c1C.

What is the InChIKey of 1-[4-(6-methoxy-7,8-dimethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?

The InChIKey is LSOAHXAXBYIFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-16-17(2)24(30-3)28-29-22(19-8-5-4-6-9-19)21(27-23(16)29)18-10-12-20(13-11-18)25(26)14-7-15-25/h4-6,8-13H,7,14-15,26H2,1-3H3.

What are the key properties of 1-[4-(6-methoxy-7,8-dimethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?

1-[4-(6-methoxy-7,8-dimethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine has a molecular weight of 398.51 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6-methoxy-7,8-dimethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 70818207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).