4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol

C21H19N3O4 — CID 137120111

IUPAC4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
SMILESCOc1cc(-c2cnc3ccc(-c4ccc(OC)c(OC)c4)nn23)ccc1O
InChIInChI=1S/C21H19N3O4/c1-26-18-8-5-13(10-20(18)28-3)15-6-9-21-22-12-16(24(21)23-15)14-4-7-17(25)19(11-14)27-2/h4-12,25H,1-3H3
InChIKeyHLWIUMWUZXNFTC-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.79
Rot. Bonds5

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

4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol (PubChem CID 137120111) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
PubChem CID137120111
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
SMILESCOc1cc(-c2cnc3ccc(-c4ccc(OC)c(OC)c4)nn23)ccc1O
InChIInChI=1S/C21H19N3O4/c1-26-18-8-5-13(10-20(18)28-3)15-6-9-21-22-12-16(24(21)23-15)14-4-7-17(25)19(11-14)27-2/h4-12,25H,1-3H3
InChIKeyHLWIUMWUZXNFTC-UHFFFAOYSA-N
XLogP3.79
TPSA78.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol?
The IUPAC name of 4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol (CID 137120111) is 4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol?
The canonical SMILES for 4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol is COc1cc(-c2cnc3ccc(-c4ccc(OC)c(OC)c4)nn23)ccc1O.
What is the InChIKey of 4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol?
The InChIKey is HLWIUMWUZXNFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-26-18-8-5-13(10-20(18)28-3)15-6-9-21-22-12-16(24(21)23-15)14-4-7-17(25)19(11-14)27-2/h4-12,25H,1-3H3.
What are the key properties of 4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol?
4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol has a molecular weight of 377.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol is sourced from PubChem (CID 137120111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).