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

C22H18N4O3S — CID 118720971

IUPAC4-[6-(3-cyclopropylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)nn23)cc1
InChIInChI=1S/C22H18N4O3S/c23-22(27)15-6-4-14(5-7-15)20-13-24-21-11-10-19(25-26(20)21)16-2-1-3-18(12-16)30(28,29)17-8-9-17/h1-7,10-13,17H,8-9H2,(H2,23,27)
InChIKeyVCUNAHLPRSJJRQ-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.10
Rot. Bonds5

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

4-[6-(3-cyclopropylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 118720971) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is 4-[6-(3-cyclopropylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-[6-(3-cyclopropylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID118720971
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC Name4-[6-(3-cyclopropylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)nn23)cc1
InChIInChI=1S/C22H18N4O3S/c23-22(27)15-6-4-14(5-7-15)20-13-24-21-11-10-19(25-26(20)21)16-2-1-3-18(12-16)30(28,29)17-8-9-17/h1-7,10-13,17H,8-9H2,(H2,23,27)
InChIKeyVCUNAHLPRSJJRQ-UHFFFAOYSA-N
XLogP3.10
TPSA107.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-cyclopropylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of 4-[6-(3-cyclopropylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide (CID 118720971) is 4-[6-(3-cyclopropylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-[6-(3-cyclopropylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for 4-[6-(3-cyclopropylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide is NC(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)nn23)cc1.
What is the InChIKey of 4-[6-(3-cyclopropylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is VCUNAHLPRSJJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c23-22(27)15-6-4-14(5-7-15)20-13-24-21-11-10-19(25-26(20)21)16-2-1-3-18(12-16)30(28,29)17-8-9-17/h1-7,10-13,17H,8-9H2,(H2,23,27).
What are the key properties of 4-[6-(3-cyclopropylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
4-[6-(3-cyclopropylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 418.48 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-cyclopropylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 118720971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).