3-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]phenol

C20H18N4O — CID 90393302

IUPAC3-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESCc1ccc(Nc2ccc3ncc(-c4cccc(O)c4)n3n2)cc1C
InChIInChI=1S/C20H18N4O/c1-13-6-7-16(10-14(13)2)22-19-8-9-20-21-12-18(24(20)23-19)15-4-3-5-17(25)11-15/h3-12,25H,1-2H3,(H,22,23)
InChIKeyOFDVKWIWZTVKAG-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.46
Rot. Bonds3

About 3-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]phenol

3-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]phenol (PubChem CID 90393302) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name3-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]phenol
PubChem CID90393302
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name3-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESCc1ccc(Nc2ccc3ncc(-c4cccc(O)c4)n3n2)cc1C
InChIInChI=1S/C20H18N4O/c1-13-6-7-16(10-14(13)2)22-19-8-9-20-21-12-18(24(20)23-19)15-4-3-5-17(25)11-15/h3-12,25H,1-2H3,(H,22,23)
InChIKeyOFDVKWIWZTVKAG-UHFFFAOYSA-N
XLogP4.46
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The IUPAC name of 3-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]phenol (CID 90393302) is 3-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]phenol.
What is the SMILES notation for 3-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The canonical SMILES for 3-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]phenol is Cc1ccc(Nc2ccc3ncc(-c4cccc(O)c4)n3n2)cc1C.
What is the InChIKey of 3-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The InChIKey is OFDVKWIWZTVKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-13-6-7-16(10-14(13)2)22-19-8-9-20-21-12-18(24(20)23-19)15-4-3-5-17(25)11-15/h3-12,25H,1-2H3,(H,22,23).
What are the key properties of 3-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]phenol?
3-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]phenol has a molecular weight of 330.39 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]phenol is sourced from PubChem (CID 90393302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).