[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol

C20H17N3O2 — CID 126673222

IUPAC[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
SMILESCOc1cccc(-c2ccc3ncc(-c4ccc(CO)cc4)n3n2)c1
InChIInChI=1S/C20H17N3O2/c1-25-17-4-2-3-16(11-17)18-9-10-20-21-12-19(23(20)22-18)15-7-5-14(13-24)6-8-15/h2-12,24H,13H2,1H3
InChIKeyAYYKPDFYGYNYRU-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.56
Rot. Bonds4

About [4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol

[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol (PubChem CID 126673222) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is [4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
PubChem CID126673222
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
SMILESCOc1cccc(-c2ccc3ncc(-c4ccc(CO)cc4)n3n2)c1
InChIInChI=1S/C20H17N3O2/c1-25-17-4-2-3-16(11-17)18-9-10-20-21-12-19(23(20)22-18)15-7-5-14(13-24)6-8-15/h2-12,24H,13H2,1H3
InChIKeyAYYKPDFYGYNYRU-UHFFFAOYSA-N
XLogP3.56
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]methanol
CID 116854486
[4-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 126672864
[4-(6-phenylimidazo[1,2-b]pyridazin-3-yl)phenyl]methanol
CID 126672911
6-[3-(methoxymethyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 162753468
N-[4-[6-(3-phenoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
CID 155549224
[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
CID 135316044
3-(3,4-dimethoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]imidazo[1,2-b]pyridazine
CID 160699273
[6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]methanol
CID 116854462
4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
CID 137120111
4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 25121551
3,6-bis(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine
CID 155537745
3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 44580233

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The IUPAC name of [4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol (CID 126673222) is [4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The canonical SMILES for [4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol is COc1cccc(-c2ccc3ncc(-c4ccc(CO)cc4)n3n2)c1.
What is the InChIKey of [4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The InChIKey is AYYKPDFYGYNYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-25-17-4-2-3-16(11-17)18-9-10-20-21-12-19(23(20)22-18)15-7-5-14(13-24)6-8-15/h2-12,24H,13H2,1H3.
What are the key properties of [4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol has a molecular weight of 331.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol is sourced from PubChem (CID 126673222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).