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

C20H18N4O3 — CID 78427884

IUPAC3-[6-(3,4-dimethoxyanilino)imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESCOc1ccc(Nc2ccc3ncc(-c4cccc(O)c4)n3n2)cc1OC
InChIInChI=1S/C20H18N4O3/c1-26-17-7-6-14(11-18(17)27-2)22-19-8-9-20-21-12-16(24(20)23-19)13-4-3-5-15(25)10-13/h3-12,25H,1-2H3,(H,22,23)
InChIKeyJAKALUHYZQXVEJ-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.86
Rot. Bonds5

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

3-[6-(3,4-dimethoxyanilino)imidazo[1,2-b]pyridazin-3-yl]phenol (PubChem CID 78427884) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-[6-(3,4-dimethoxyanilino)imidazo[1,2-b]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name3-[6-(3,4-dimethoxyanilino)imidazo[1,2-b]pyridazin-3-yl]phenol
PubChem CID78427884
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name3-[6-(3,4-dimethoxyanilino)imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESCOc1ccc(Nc2ccc3ncc(-c4cccc(O)c4)n3n2)cc1OC
InChIInChI=1S/C20H18N4O3/c1-26-17-7-6-14(11-18(17)27-2)22-19-8-9-20-21-12-16(24(20)23-19)13-4-3-5-15(25)10-13/h3-12,25H,1-2H3,(H,22,23)
InChIKeyJAKALUHYZQXVEJ-UHFFFAOYSA-N
XLogP3.86
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 90393302
N-(3,4-dimethoxyphenyl)-3-(5,6,7-trimethoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 90388069
N-(3,4-dimethoxyphenyl)-3-(7-propan-2-yloxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 78426690
N-(3,4-dimethoxyphenyl)-3-(1-prop-2-enylindol-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 90388347
N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine
CID 90393518
N-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine
CID 24997044
(2S)-2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol
CID 58857690
4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
CID 137120111
N-(3,4-dimethylphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 121419111
[3-[6-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 126474180
3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenol
CID 126672883
3-(3,4-dimethoxyphenyl)-6-thiophen-2-ylimidazo[1,2-b]pyridazine
CID 126673112

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3,4-dimethoxyanilino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The IUPAC name of 3-[6-(3,4-dimethoxyanilino)imidazo[1,2-b]pyridazin-3-yl]phenol (CID 78427884) is 3-[6-(3,4-dimethoxyanilino)imidazo[1,2-b]pyridazin-3-yl]phenol.
What is the SMILES notation for 3-[6-(3,4-dimethoxyanilino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The canonical SMILES for 3-[6-(3,4-dimethoxyanilino)imidazo[1,2-b]pyridazin-3-yl]phenol is COc1ccc(Nc2ccc3ncc(-c4cccc(O)c4)n3n2)cc1OC.
What is the InChIKey of 3-[6-(3,4-dimethoxyanilino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The InChIKey is JAKALUHYZQXVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-26-17-7-6-14(11-18(17)27-2)22-19-8-9-20-21-12-16(24(20)23-19)13-4-3-5-15(25)10-13/h3-12,25H,1-2H3,(H,22,23).
What are the key properties of 3-[6-(3,4-dimethoxyanilino)imidazo[1,2-b]pyridazin-3-yl]phenol?
3-[6-(3,4-dimethoxyanilino)imidazo[1,2-b]pyridazin-3-yl]phenol has a molecular weight of 362.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3,4-dimethoxyanilino)imidazo[1,2-b]pyridazin-3-yl]phenol is sourced from PubChem (CID 78427884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).