2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetic acid

C16H15N3O3 — CID 90724912

IUPAC2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetic acid
SMILESCOc1ccc(-c2nc3ccc(C)nn3c2CC(=O)O)cc1
InChIInChI=1S/C16H15N3O3/c1-10-3-8-14-17-16(11-4-6-12(22-2)7-5-11)13(9-15(20)21)19(14)18-10/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyBYEFLECDWDTOCN-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.34
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetic acid

2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetic acid (PubChem CID 90724912) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetic acid
PubChem CID90724912
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetic acid
SMILESCOc1ccc(-c2nc3ccc(C)nn3c2CC(=O)O)cc1
InChIInChI=1S/C16H15N3O3/c1-10-3-8-14-17-16(11-4-6-12(22-2)7-5-11)13(9-15(20)21)19(14)18-10/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyBYEFLECDWDTOCN-UHFFFAOYSA-N
XLogP2.34
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-fluoro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82060605
N-[(6-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]acetamide
CID 10707880
(4-methoxyphenyl) N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]carbamate
CID 24754065
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride
CID 74889750
ethane;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 143742261
ethyl 2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetate
CID 58763578
[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 39125896
2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 20542726
5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 19916311
2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetic acid
CID 43935741
3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 42281960
2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid
CID 82479288

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetic acid (CID 90724912) is 2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetic acid is COc1ccc(-c2nc3ccc(C)nn3c2CC(=O)O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetic acid?
The InChIKey is BYEFLECDWDTOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10-3-8-14-17-16(11-4-6-12(22-2)7-5-11)13(9-15(20)21)19(14)18-10/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetic acid?
2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetic acid has a molecular weight of 297.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetic acid is sourced from PubChem (CID 90724912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).