[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl] methanesulfonate

C17H15N3O5S — CID 175791061

IUPAC[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl] methanesulfonate
SMILESCOc1cc(OS(C)(=O)=O)c2cc(-c3cn4nc(C)ccc4n3)oc2c1
InChIInChI=1S/C17H15N3O5S/c1-10-4-5-17-18-13(9-20(17)19-10)16-8-12-14(24-16)6-11(23-2)7-15(12)25-26(3,21)22/h4-9H,1-3H3
InChIKeyRILNDSYPXVLZRF-UHFFFAOYSA-N
MW373.39 g/mol
LogP2.80
Rot. Bonds4

About [6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl] methanesulfonate

[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl] methanesulfonate (PubChem CID 175791061) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is [6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl] methanesulfonate.

Molecular Properties

Compound Name[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl] methanesulfonate
PubChem CID175791061
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC Name[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl] methanesulfonate
SMILESCOc1cc(OS(C)(=O)=O)c2cc(-c3cn4nc(C)ccc4n3)oc2c1
InChIInChI=1S/C17H15N3O5S/c1-10-4-5-17-18-13(9-20(17)19-10)16-8-12-14(24-16)6-11(23-2)7-15(12)25-26(3,21)22/h4-9H,1-3H3
InChIKeyRILNDSYPXVLZRF-UHFFFAOYSA-N
XLogP2.80
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole
CID 130179601
6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068442
2-methoxy-6-[6-methoxy-4-[(3-methylphenyl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118068378
6-(6-methoxy-4-phenylmethoxy-1-benzofuran-2-yl)imidazo[1,2-b][1,2,4]triazine
CID 126683693
2-methoxy-6-[6-methoxy-4-[[5-(6-methyl-3-pyridinyl)-3-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118042417
2-methoxy-6-[6-methoxy-4-[[3-(6-methyl-3-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118042410
[6-[3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]methoxy]phenyl]-3-pyridinyl]-piperazin-1-ylmethanone
CID 139374286
1-[4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]pyrimidin-2-yl]-4-methylpiperidin-3-ol
CID 126683712
6-(4-butoxy-6-methoxy-1-benzofuran-2-yl)-2-ethylimidazo[2,1-b][1,3,4]oxadiazole
CID 129015351
6-[4-[(3-iodophenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 122521872
[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]methanol
CID 155545221
2-methoxy-6-[6-methoxy-4-[(2-phenylmethoxyphenyl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 155544936

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl] methanesulfonate?
The IUPAC name of [6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl] methanesulfonate (CID 175791061) is [6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl] methanesulfonate.
What is the SMILES notation for [6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl] methanesulfonate?
The canonical SMILES for [6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl] methanesulfonate is COc1cc(OS(C)(=O)=O)c2cc(-c3cn4nc(C)ccc4n3)oc2c1.
What is the InChIKey of [6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl] methanesulfonate?
The InChIKey is RILNDSYPXVLZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-10-4-5-17-18-13(9-20(17)19-10)16-8-12-14(24-16)6-11(23-2)7-15(12)25-26(3,21)22/h4-9H,1-3H3.
What are the key properties of [6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl] methanesulfonate?
[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl] methanesulfonate has a molecular weight of 373.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl] methanesulfonate is sourced from PubChem (CID 175791061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).