3-(4-methylsulfonylphenyl)-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-b]pyridazine

C19H16N4O4S2 — CID 118720948

IUPAC3-(4-methylsulfonylphenyl)-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-b]pyridazine
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cncc(S(C)(=O)=O)c4)nn23)cc1
InChIInChI=1S/C19H16N4O4S2/c1-28(24,25)15-5-3-13(4-6-15)18-12-21-19-8-7-17(22-23(18)19)14-9-16(11-20-10-14)29(2,26)27/h3-12H,1-2H3
InChIKeyRVPVLGQQAMKHCT-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.27
Rot. Bonds4

About 3-(4-methylsulfonylphenyl)-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-b]pyridazine

3-(4-methylsulfonylphenyl)-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-b]pyridazine (PubChem CID 118720948) has the molecular formula C19H16N4O4S2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-b]pyridazine
PubChem CID118720948
Molecular FormulaC19H16N4O4S2
Molecular Weight428.50 g/mol
Exact Mass428.06
IUPAC Name3-(4-methylsulfonylphenyl)-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-b]pyridazine
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cncc(S(C)(=O)=O)c4)nn23)cc1
InChIInChI=1S/C19H16N4O4S2/c1-28(24,25)15-5-3-13(4-6-15)18-12-21-19-8-7-17(22-23(18)19)14-9-16(11-20-10-14)29(2,26)27/h3-12H,1-2H3
InChIKeyRVPVLGQQAMKHCT-UHFFFAOYSA-N
XLogP2.27
TPSA111.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-(4-methylsulfonylphenyl)-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-b]pyridazine (CID 118720948) is 3-(4-methylsulfonylphenyl)-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-b]pyridazine is CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cncc(S(C)(=O)=O)c4)nn23)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-b]pyridazine?
The InChIKey is RVPVLGQQAMKHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S2/c1-28(24,25)15-5-3-13(4-6-15)18-12-21-19-8-7-17(22-23(18)19)14-9-16(11-20-10-14)29(2,26)27/h3-12H,1-2H3.
What are the key properties of 3-(4-methylsulfonylphenyl)-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-b]pyridazine?
3-(4-methylsulfonylphenyl)-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-b]pyridazine has a molecular weight of 428.50 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118720948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).