2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid

C15H13N3O3 — CID 154659101

IUPAC2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid
SMILESCOc1cccc(-c2ccc3nc(CC(=O)O)cn3n2)c1
InChIInChI=1S/C15H13N3O3/c1-21-12-4-2-3-10(7-12)13-5-6-14-16-11(8-15(19)20)9-18(14)17-13/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyZOOIWCXQBMGQLI-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.03
Rot. Bonds4

About 2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid

2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid (PubChem CID 154659101) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid
PubChem CID154659101
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid
SMILESCOc1cccc(-c2ccc3nc(CC(=O)O)cn3n2)c1
InChIInChI=1S/C15H13N3O3/c1-21-12-4-2-3-10(7-12)13-5-6-14-16-11(8-15(19)20)9-18(14)17-13/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyZOOIWCXQBMGQLI-UHFFFAOYSA-N
XLogP2.03
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-Methoxyphenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4774630
Lmtk3-IN-1
CID 138454301
N-[(3S)-1-[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N,2-dimethylpropanamide
CID 168282980
N-[(3S)-1-[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N,2,2-trimethylpropanamide
CID 168291872
Ethyl 6-(4-methylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
CID 2815681
6-(3-Methoxyphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 620319
2-[4-(2-Methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine
CID 11381836
3-{[3-(3,4-Dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino}propan-1-ol
CID 25104051
2-(3-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25144373
N-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 57391268
2-(5-(3-methoxy-4-methylphenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901619
6-(3,4-Dimethoxyphenyl)-3-(4-pyridyl)imidazo[1,2-b]pyridazine
CID 90670243

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid?
The IUPAC name of 2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid (CID 154659101) is 2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid.
What is the SMILES notation for 2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid?
The canonical SMILES for 2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid is COc1cccc(-c2ccc3nc(CC(=O)O)cn3n2)c1.
What is the InChIKey of 2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid?
The InChIKey is ZOOIWCXQBMGQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-21-12-4-2-3-10(7-12)13-5-6-14-16-11(8-15(19)20)9-18(14)17-13/h2-7,9H,8H2,1H3,(H,19,20).
What are the key properties of 2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid?
2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid has a molecular weight of 283.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid is sourced from PubChem (CID 154659101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).