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

C25H24N4O3S — CID 90670284

IUPACN-cyclopentyl-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4ccc(C(=O)NC5CCCC5)cc4)nn23)cc1
InChIInChI=1S/C25H24N4O3S/c1-33(31,32)21-12-10-18(11-13-21)23-16-26-24-15-14-22(28-29(23)24)17-6-8-19(9-7-17)25(30)27-20-4-2-3-5-20/h6-16,20H,2-5H2,1H3,(H,27,30)
InChIKeyKVGQIJYOKFNGGH-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.14
Rot. Bonds5

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

N-cyclopentyl-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide (PubChem CID 90670284) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-cyclopentyl-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
PubChem CID90670284
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-cyclopentyl-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4ccc(C(=O)NC5CCCC5)cc4)nn23)cc1
InChIInChI=1S/C25H24N4O3S/c1-33(31,32)21-12-10-18(11-13-21)23-16-26-24-15-14-22(28-29(23)24)17-6-8-19(9-7-17)25(30)27-20-4-2-3-5-20/h6-16,20H,2-5H2,1H3,(H,27,30)
InChIKeyKVGQIJYOKFNGGH-UHFFFAOYSA-N
XLogP4.14
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The IUPAC name of N-cyclopentyl-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide (CID 90670284) is N-cyclopentyl-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The canonical SMILES for N-cyclopentyl-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide is CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4ccc(C(=O)NC5CCCC5)cc4)nn23)cc1.
What is the InChIKey of N-cyclopentyl-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The InChIKey is KVGQIJYOKFNGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-33(31,32)21-12-10-18(11-13-21)23-16-26-24-15-14-22(28-29(23)24)17-6-8-19(9-7-17)25(30)27-20-4-2-3-5-20/h6-16,20H,2-5H2,1H3,(H,27,30).
What are the key properties of N-cyclopentyl-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
N-cyclopentyl-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide has a molecular weight of 460.56 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide is sourced from PubChem (CID 90670284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).