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

C21H17N3O3 — CID 154659094

IUPAC2-[6-(3-phenylmethoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid
SMILESO=C(O)Cc1cn2nc(-c3cccc(OCc4ccccc4)c3)ccc2n1
InChIInChI=1S/C21H17N3O3/c25-21(26)12-17-13-24-20(22-17)10-9-19(23-24)16-7-4-8-18(11-16)27-14-15-5-2-1-3-6-15/h1-11,13H,12,14H2,(H,25,26)
InChIKeyFMCYAVBVTDAGJA-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.60
Rot. Bonds6

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

2-[6-(3-phenylmethoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid (PubChem CID 154659094) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-[6-(3-phenylmethoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(3-phenylmethoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid
PubChem CID154659094
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name2-[6-(3-phenylmethoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid
SMILESO=C(O)Cc1cn2nc(-c3cccc(OCc4ccccc4)c3)ccc2n1
InChIInChI=1S/C21H17N3O3/c25-21(26)12-17-13-24-20(22-17)10-9-19(23-24)16-7-4-8-18(11-16)27-14-15-5-2-1-3-6-15/h1-11,13H,12,14H2,(H,25,26)
InChIKeyFMCYAVBVTDAGJA-UHFFFAOYSA-N
XLogP3.60
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-((3-(4-(Diphenylmethoxy)piperidino)propyl)amino)imidazo(1,2-b)pyridazin-2-yl)-2-methylpropionic acid
CID 9806921
(3S)-3-[4-[[2-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methoxy]phenyl]hex-4-ynoic acid
CID 118151370
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
3-(8-Methyl-2-imidazo[1,2-a]pyridinyl)-1-benzopyran-2-one
CID 767302
6-[4-(Benzyloxy)phenyl]-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196212
Lmtk3-IN-1
CID 138454301
Ethyl 6-(4-methylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
CID 2815681
3-(imidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one
CID 397075
N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 6419809
6-(Cyclopropylmethoxy)-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 11221464
4-[2-[3-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine
CID 11259074
6-(Cyclopropylmethoxy)-2-(4-ethoxyphenyl)imidazo[1,2-b]pyridazine
CID 11358773

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-phenylmethoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid?
The IUPAC name of 2-[6-(3-phenylmethoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid (CID 154659094) is 2-[6-(3-phenylmethoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid.
What is the SMILES notation for 2-[6-(3-phenylmethoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid?
The canonical SMILES for 2-[6-(3-phenylmethoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid is O=C(O)Cc1cn2nc(-c3cccc(OCc4ccccc4)c3)ccc2n1.
What is the InChIKey of 2-[6-(3-phenylmethoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid?
The InChIKey is FMCYAVBVTDAGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-21(26)12-17-13-24-20(22-17)10-9-19(23-24)16-7-4-8-18(11-16)27-14-15-5-2-1-3-6-15/h1-11,13H,12,14H2,(H,25,26).
What are the key properties of 2-[6-(3-phenylmethoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid?
2-[6-(3-phenylmethoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid has a molecular weight of 359.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-phenylmethoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid is sourced from PubChem (CID 154659094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).