[3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol

C20H17N3O3S — CID 126672891

IUPAC[3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
SMILESCS(=O)(=O)c1ccc(-c2ccc3ncc(-c4cccc(CO)c4)n3n2)cc1
InChIInChI=1S/C20H17N3O3S/c1-27(25,26)17-7-5-15(6-8-17)18-9-10-20-21-12-19(23(20)22-18)16-4-2-3-14(11-16)13-24/h2-12,24H,13H2,1H3
InChIKeyMSTOIMQGZRFMJM-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.96
Rot. Bonds4

About [3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol

[3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol (PubChem CID 126672891) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is [3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
PubChem CID126672891
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name[3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
SMILESCS(=O)(=O)c1ccc(-c2ccc3ncc(-c4cccc(CO)c4)n3n2)cc1
InChIInChI=1S/C20H17N3O3S/c1-27(25,26)17-7-5-15(6-8-17)18-9-10-20-21-12-19(23(20)22-18)16-4-2-3-14(11-16)13-24/h2-12,24H,13H2,1H3
InChIKeyMSTOIMQGZRFMJM-UHFFFAOYSA-N
XLogP2.96
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The IUPAC name of [3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol (CID 126672891) is [3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol.
What is the SMILES notation for [3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The canonical SMILES for [3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol is CS(=O)(=O)c1ccc(-c2ccc3ncc(-c4cccc(CO)c4)n3n2)cc1.
What is the InChIKey of [3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The InChIKey is MSTOIMQGZRFMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-27(25,26)17-7-5-15(6-8-17)18-9-10-20-21-12-19(23(20)22-18)16-4-2-3-14(11-16)13-24/h2-12,24H,13H2,1H3.
What are the key properties of [3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
[3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol has a molecular weight of 379.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol is sourced from PubChem (CID 126672891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).