3-[3-[2-(2-methoxyphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazin-3-yl]phenyl]phenol

C29H21N3O2S — CID 71698521

IUPAC3-[3-[2-(2-methoxyphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazin-3-yl]phenyl]phenol
SMILESCOc1ccccc1-c1nc2ccc(-c3ccsc3)nn2c1-c1cccc(-c2cccc(O)c2)c1
InChIInChI=1S/C29H21N3O2S/c1-34-26-11-3-2-10-24(26)28-29(21-8-4-6-19(16-21)20-7-5-9-23(33)17-20)32-27(30-28)13-12-25(31-32)22-14-15-35-18-22/h2-18,33H,1H3
InChIKeyOMSLUDBUPKVFTL-UHFFFAOYSA-N
MW475.57 g/mol
LogP7.17
Rot. Bonds5

About 3-[3-[2-(2-methoxyphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazin-3-yl]phenyl]phenol

3-[3-[2-(2-methoxyphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazin-3-yl]phenyl]phenol (PubChem CID 71698521) has the molecular formula C29H21N3O2S and a molecular weight of 475.57 g/mol. Its IUPAC name is 3-[3-[2-(2-methoxyphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazin-3-yl]phenyl]phenol.

Molecular Properties

Compound Name3-[3-[2-(2-methoxyphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazin-3-yl]phenyl]phenol
PubChem CID71698521
Molecular FormulaC29H21N3O2S
Molecular Weight475.57 g/mol
Exact Mass475.14
IUPAC Name3-[3-[2-(2-methoxyphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazin-3-yl]phenyl]phenol
SMILESCOc1ccccc1-c1nc2ccc(-c3ccsc3)nn2c1-c1cccc(-c2cccc(O)c2)c1
InChIInChI=1S/C29H21N3O2S/c1-34-26-11-3-2-10-24(26)28-29(21-8-4-6-19(16-21)20-7-5-9-23(33)17-20)32-27(30-28)13-12-25(31-32)22-14-15-35-18-22/h2-18,33H,1H3
InChIKeyOMSLUDBUPKVFTL-UHFFFAOYSA-N
XLogP7.17
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.57
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(2-methoxyphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazin-3-yl]phenyl]phenol?
The IUPAC name of 3-[3-[2-(2-methoxyphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazin-3-yl]phenyl]phenol (CID 71698521) is 3-[3-[2-(2-methoxyphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazin-3-yl]phenyl]phenol.
What is the SMILES notation for 3-[3-[2-(2-methoxyphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazin-3-yl]phenyl]phenol?
The canonical SMILES for 3-[3-[2-(2-methoxyphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazin-3-yl]phenyl]phenol is COc1ccccc1-c1nc2ccc(-c3ccsc3)nn2c1-c1cccc(-c2cccc(O)c2)c1.
What is the InChIKey of 3-[3-[2-(2-methoxyphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazin-3-yl]phenyl]phenol?
The InChIKey is OMSLUDBUPKVFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O2S/c1-34-26-11-3-2-10-24(26)28-29(21-8-4-6-19(16-21)20-7-5-9-23(33)17-20)32-27(30-28)13-12-25(31-32)22-14-15-35-18-22/h2-18,33H,1H3.
What are the key properties of 3-[3-[2-(2-methoxyphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazin-3-yl]phenyl]phenol?
3-[3-[2-(2-methoxyphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazin-3-yl]phenyl]phenol has a molecular weight of 475.57 g/mol, XLogP of 7.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2-methoxyphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazin-3-yl]phenyl]phenol is sourced from PubChem (CID 71698521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).