N-cyclopropylsulfonyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide

C23H20N4O5S2 — CID 90670274

IUPACN-cyclopropylsulfonyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(C(=O)NS(=O)(=O)C5CC5)c4)nn23)cc1
InChIInChI=1S/C23H20N4O5S2/c1-33(29,30)18-7-5-15(6-8-18)21-14-24-22-12-11-20(25-27(21)22)16-3-2-4-17(13-16)23(28)26-34(31,32)19-9-10-19/h2-8,11-14,19H,9-10H2,1H3,(H,26,28)
InChIKeyCSPDOJNFYMJHHA-UHFFFAOYSA-N
MW496.57 g/mol
LogP2.69
Rot. Bonds6

About N-cyclopropylsulfonyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide

N-cyclopropylsulfonyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide (PubChem CID 90670274) has the molecular formula C23H20N4O5S2 and a molecular weight of 496.57 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
PubChem CID90670274
Molecular FormulaC23H20N4O5S2
Molecular Weight496.57 g/mol
Exact Mass496.09
IUPAC NameN-cyclopropylsulfonyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(C(=O)NS(=O)(=O)C5CC5)c4)nn23)cc1
InChIInChI=1S/C23H20N4O5S2/c1-33(29,30)18-7-5-15(6-8-18)21-14-24-22-12-11-20(25-27(21)22)16-3-2-4-17(13-16)23(28)26-34(31,32)19-9-10-19/h2-8,11-14,19H,9-10H2,1H3,(H,26,28)
InChIKeyCSPDOJNFYMJHHA-UHFFFAOYSA-N
XLogP2.69
TPSA127.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-cyclopropylsulfonyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The IUPAC name of N-cyclopropylsulfonyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide (CID 90670274) is N-cyclopropylsulfonyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide.
What is the SMILES notation for N-cyclopropylsulfonyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The canonical SMILES for N-cyclopropylsulfonyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide is CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(C(=O)NS(=O)(=O)C5CC5)c4)nn23)cc1.
What is the InChIKey of N-cyclopropylsulfonyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The InChIKey is CSPDOJNFYMJHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5S2/c1-33(29,30)18-7-5-15(6-8-18)21-14-24-22-12-11-20(25-27(21)22)16-3-2-4-17(13-16)23(28)26-34(31,32)19-9-10-19/h2-8,11-14,19H,9-10H2,1H3,(H,26,28).
What are the key properties of N-cyclopropylsulfonyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
N-cyclopropylsulfonyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide has a molecular weight of 496.57 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide is sourced from PubChem (CID 90670274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).