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

C22H20N4O3 — CID 155545610

IUPACN-[4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
SMILESCOc1ccc(-c2ccc3ncc(-c4ccc(NC(C)=O)cc4)n3n2)cc1OC
InChIInChI=1S/C22H20N4O3/c1-14(27)24-17-7-4-15(5-8-17)19-13-23-22-11-9-18(25-26(19)22)16-6-10-20(28-2)21(12-16)29-3/h4-13H,1-3H3,(H,24,27)
InChIKeyNLLPWSONLOOGRR-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.04
Rot. Bonds5

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

N-[4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide (PubChem CID 155545610) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
PubChem CID155545610
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-[4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
SMILESCOc1ccc(-c2ccc3ncc(-c4ccc(NC(C)=O)cc4)n3n2)cc1OC
InChIInChI=1S/C22H20N4O3/c1-14(27)24-17-7-4-15(5-8-17)19-13-23-22-11-9-18(25-26(19)22)16-6-10-20(28-2)21(12-16)29-3/h4-13H,1-3H3,(H,24,27)
InChIKeyNLLPWSONLOOGRR-UHFFFAOYSA-N
XLogP4.04
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Taletrectinib
CID 72202474
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
Unii-XX8E5WP7FS
CID 118009787
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905153
6-(3,4-dimethoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538783
4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 11214202
7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 56668417
2-{4-[(6,7-Dimethoxyquinazolin-4-yl)amino]-1h-pyrazol-1-yl}-n-(3-fluorophenyl)acetamide
CID 57391179
7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57402936
2-[4-[4-[[7-(2-Methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
CID 57403118
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
7-Amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2988155

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide (CID 155545610) is N-[4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide is COc1ccc(-c2ccc3ncc(-c4ccc(NC(C)=O)cc4)n3n2)cc1OC.
What is the InChIKey of N-[4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The InChIKey is NLLPWSONLOOGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-14(27)24-17-7-4-15(5-8-17)19-13-23-22-11-9-18(25-26(19)22)16-6-10-20(28-2)21(12-16)29-3/h4-13H,1-3H3,(H,24,27).
What are the key properties of N-[4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
N-[4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide has a molecular weight of 388.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 155545610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).