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

C21H18N4O2 — CID 126672835

IUPACN-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
SMILESCOc1ccccc1-c1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1
InChIInChI=1S/C21H18N4O2/c1-14(26)23-16-7-5-6-15(12-16)19-13-22-21-11-10-18(24-25(19)21)17-8-3-4-9-20(17)27-2/h3-13H,1-2H3,(H,23,26)
InChIKeyLRJDLCWYSRTSJN-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.03
Rot. Bonds4

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

N-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide (PubChem CID 126672835) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
PubChem CID126672835
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
SMILESCOc1ccccc1-c1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1
InChIInChI=1S/C21H18N4O2/c1-14(26)23-16-7-5-6-15(12-16)19-13-22-21-11-10-18(24-25(19)21)17-8-3-4-9-20(17)27-2/h3-13H,1-2H3,(H,23,26)
InChIKeyLRJDLCWYSRTSJN-UHFFFAOYSA-N
XLogP4.03
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide (CID 126672835) is N-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide is COc1ccccc1-c1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1.
What is the InChIKey of N-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The InChIKey is LRJDLCWYSRTSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14(26)23-16-7-5-6-15(12-16)19-13-22-21-11-10-18(24-25(19)21)17-8-3-4-9-20(17)27-2/h3-13H,1-2H3,(H,23,26).
What are the key properties of N-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
N-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide has a molecular weight of 358.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 126672835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).