6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine

C22H22N6O2S — CID 90670261

IUPAC6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3ccc4ncc(-c5ccncc5)n4n3)cc2)CC1
InChIInChI=1S/C22H22N6O2S/c1-26-12-14-27(15-13-26)31(29,30)19-4-2-17(3-5-19)20-6-7-22-24-16-21(28(22)25-20)18-8-10-23-11-9-18/h2-11,16H,12-15H2,1H3
InChIKeyPWVAPWCPCFJDSQ-UHFFFAOYSA-N
MW434.53 g/mol
LogP2.39
Rot. Bonds4

About 6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine

6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 90670261) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is 6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID90670261
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC Name6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3ccc4ncc(-c5ccncc5)n4n3)cc2)CC1
InChIInChI=1S/C22H22N6O2S/c1-26-12-14-27(15-13-26)31(29,30)19-4-2-17(3-5-19)20-6-7-22-24-16-21(28(22)25-20)18-8-10-23-11-9-18/h2-11,16H,12-15H2,1H3
InChIKeyPWVAPWCPCFJDSQ-UHFFFAOYSA-N
XLogP2.39
TPSA83.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 90670261) is 6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine is CN1CCN(S(=O)(=O)c2ccc(-c3ccc4ncc(-c5ccncc5)n4n3)cc2)CC1.
What is the InChIKey of 6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is PWVAPWCPCFJDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-26-12-14-27(15-13-26)31(29,30)19-4-2-17(3-5-19)20-6-7-22-24-16-21(28(22)25-20)18-8-10-23-11-9-18/h2-11,16H,12-15H2,1H3.
What are the key properties of 6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 434.53 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 90670261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).