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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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).