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

C21H18N4O3S — CID 126672919

IUPACN-[3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3ccc(-c4ccc(S(C)(=O)=O)cc4)nn23)c1
InChIInChI=1S/C21H18N4O3S/c1-14(26)23-17-5-3-4-16(12-17)20-13-22-21-11-10-19(24-25(20)21)15-6-8-18(9-7-15)29(2,27)28/h3-13H,1-2H3,(H,23,26)
InChIKeyCVDZZKSWOBGDSE-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.43
Rot. Bonds4

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

N-[3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide (PubChem CID 126672919) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
PubChem CID126672919
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC NameN-[3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3ccc(-c4ccc(S(C)(=O)=O)cc4)nn23)c1
InChIInChI=1S/C21H18N4O3S/c1-14(26)23-17-5-3-4-16(12-17)20-13-22-21-11-10-19(24-25(20)21)15-6-8-18(9-7-15)29(2,27)28/h3-13H,1-2H3,(H,23,26)
InChIKeyCVDZZKSWOBGDSE-UHFFFAOYSA-N
XLogP3.43
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide (CID 126672919) is N-[3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cnc3ccc(-c4ccc(S(C)(=O)=O)cc4)nn23)c1.
What is the InChIKey of N-[3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The InChIKey is CVDZZKSWOBGDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-14(26)23-17-5-3-4-16(12-17)20-13-22-21-11-10-19(24-25(20)21)15-6-8-18(9-7-15)29(2,27)28/h3-13H,1-2H3,(H,23,26).
What are the key properties of N-[3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
N-[3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide has a molecular weight of 406.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 126672919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).