N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine

C24H20N4 — CID 90393518

IUPACN-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(Nc2ccc3ncc(-c4ccc5ccccc5c4)n3n2)cc1C
InChIInChI=1S/C24H20N4/c1-16-7-10-21(13-17(16)2)26-23-11-12-24-25-15-22(28(24)27-23)20-9-8-18-5-3-4-6-19(18)14-20/h3-15H,1-2H3,(H,26,27)
InChIKeyXWWSOYUMNVYGQC-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.91
Rot. Bonds3

About N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine

N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 90393518) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine
PubChem CID90393518
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC NameN-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(Nc2ccc3ncc(-c4ccc5ccccc5c4)n3n2)cc1C
InChIInChI=1S/C24H20N4/c1-16-7-10-21(13-17(16)2)26-23-11-12-24-25-15-22(28(24)27-23)20-9-8-18-5-3-4-6-19(18)14-20/h3-15H,1-2H3,(H,26,27)
InChIKeyXWWSOYUMNVYGQC-UHFFFAOYSA-N
XLogP5.91
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine (CID 90393518) is N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine is Cc1ccc(Nc2ccc3ncc(-c4ccc5ccccc5c4)n3n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is XWWSOYUMNVYGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4/c1-16-7-10-21(13-17(16)2)26-23-11-12-24-25-15-22(28(24)27-23)20-9-8-18-5-3-4-6-19(18)14-20/h3-15H,1-2H3,(H,26,27).
What are the key properties of N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine?
N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 364.45 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 90393518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).