6-(3-methylsulfonylphenyl)-3-(4-piperazin-1-ylsulfonylphenyl)imidazo[1,2-b]pyridazine

C23H23N5O4S2 — CID 118720962

IUPAC6-(3-methylsulfonylphenyl)-3-(4-piperazin-1-ylsulfonylphenyl)imidazo[1,2-b]pyridazine
SMILESCS(=O)(=O)c1cccc(-c2ccc3ncc(-c4ccc(S(=O)(=O)N5CCNCC5)cc4)n3n2)c1
InChIInChI=1S/C23H23N5O4S2/c1-33(29,30)20-4-2-3-18(15-20)21-9-10-23-25-16-22(28(23)26-21)17-5-7-19(8-6-17)34(31,32)27-13-11-24-12-14-27/h2-10,15-16,24H,11-14H2,1H3
InChIKeyVEZUQCMNAMWKIT-UHFFFAOYSA-N
MW497.60 g/mol
LogP2.06
Rot. Bonds5

About 6-(3-methylsulfonylphenyl)-3-(4-piperazin-1-ylsulfonylphenyl)imidazo[1,2-b]pyridazine

6-(3-methylsulfonylphenyl)-3-(4-piperazin-1-ylsulfonylphenyl)imidazo[1,2-b]pyridazine (PubChem CID 118720962) has the molecular formula C23H23N5O4S2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 6-(3-methylsulfonylphenyl)-3-(4-piperazin-1-ylsulfonylphenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(3-methylsulfonylphenyl)-3-(4-piperazin-1-ylsulfonylphenyl)imidazo[1,2-b]pyridazine
PubChem CID118720962
Molecular FormulaC23H23N5O4S2
Molecular Weight497.60 g/mol
Exact Mass497.12
IUPAC Name6-(3-methylsulfonylphenyl)-3-(4-piperazin-1-ylsulfonylphenyl)imidazo[1,2-b]pyridazine
SMILESCS(=O)(=O)c1cccc(-c2ccc3ncc(-c4ccc(S(=O)(=O)N5CCNCC5)cc4)n3n2)c1
InChIInChI=1S/C23H23N5O4S2/c1-33(29,30)20-4-2-3-18(15-20)21-9-10-23-25-16-22(28(23)26-21)17-5-7-19(8-6-17)34(31,32)27-13-11-24-12-14-27/h2-10,15-16,24H,11-14H2,1H3
InChIKeyVEZUQCMNAMWKIT-UHFFFAOYSA-N
XLogP2.06
TPSA113.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylsulfonylphenyl)-3-(4-piperazin-1-ylsulfonylphenyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(3-methylsulfonylphenyl)-3-(4-piperazin-1-ylsulfonylphenyl)imidazo[1,2-b]pyridazine (CID 118720962) is 6-(3-methylsulfonylphenyl)-3-(4-piperazin-1-ylsulfonylphenyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(3-methylsulfonylphenyl)-3-(4-piperazin-1-ylsulfonylphenyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(3-methylsulfonylphenyl)-3-(4-piperazin-1-ylsulfonylphenyl)imidazo[1,2-b]pyridazine is CS(=O)(=O)c1cccc(-c2ccc3ncc(-c4ccc(S(=O)(=O)N5CCNCC5)cc4)n3n2)c1.
What is the InChIKey of 6-(3-methylsulfonylphenyl)-3-(4-piperazin-1-ylsulfonylphenyl)imidazo[1,2-b]pyridazine?
The InChIKey is VEZUQCMNAMWKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S2/c1-33(29,30)20-4-2-3-18(15-20)21-9-10-23-25-16-22(28(23)26-21)17-5-7-19(8-6-17)34(31,32)27-13-11-24-12-14-27/h2-10,15-16,24H,11-14H2,1H3.
What are the key properties of 6-(3-methylsulfonylphenyl)-3-(4-piperazin-1-ylsulfonylphenyl)imidazo[1,2-b]pyridazine?
6-(3-methylsulfonylphenyl)-3-(4-piperazin-1-ylsulfonylphenyl)imidazo[1,2-b]pyridazine has a molecular weight of 497.60 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylsulfonylphenyl)-3-(4-piperazin-1-ylsulfonylphenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118720962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).