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

C21H18N4O3 — CID 25121551

IUPAC4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCOc1ccc(-c2ccc3ncc(-c4ccc(C(N)=O)cc4)n3n2)cc1OC
InChIInChI=1S/C21H18N4O3/c1-27-18-9-7-15(11-19(18)28-2)16-8-10-20-23-12-17(25(20)24-16)13-3-5-14(6-4-13)21(22)26/h3-12H,1-2H3,(H2,22,26)
InChIKeyNNVUNKFUFFIJJQ-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.18
Rot. Bonds5

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

4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 25121551) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID25121551
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCOc1ccc(-c2ccc3ncc(-c4ccc(C(N)=O)cc4)n3n2)cc1OC
InChIInChI=1S/C21H18N4O3/c1-27-18-9-7-15(11-19(18)28-2)16-8-10-20-23-12-17(25(20)24-16)13-3-5-14(6-4-13)21(22)26/h3-12H,1-2H3,(H2,22,26)
InChIKeyNNVUNKFUFFIJJQ-UHFFFAOYSA-N
XLogP3.18
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
CID 137120111
6-(3,4-dimethoxyphenyl)-3-(furan-3-yl)imidazo[1,2-b]pyridazine
CID 71768286
3-(3,4-dimethoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]imidazo[1,2-b]pyridazine
CID 160699273
3-(3,4-dimethoxyphenyl)-6-thiophen-2-ylimidazo[1,2-b]pyridazine
CID 126673112
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806
2-[2-methoxy-4-[3-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]phenoxy]ethanamine
CID 91503088
4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
CID 25103689
2-[[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
CID 18572207
(2S)-2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol
CID 58857690
[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 126673222
[6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]methanol
CID 116854462
N-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine
CID 24997044

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of 4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide (CID 25121551) is 4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for 4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide is COc1ccc(-c2ccc3ncc(-c4ccc(C(N)=O)cc4)n3n2)cc1OC.
What is the InChIKey of 4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is NNVUNKFUFFIJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-18-9-7-15(11-19(18)28-2)16-8-10-20-23-12-17(25(20)24-16)13-3-5-14(6-4-13)21(22)26/h3-12H,1-2H3,(H2,22,26).
What are the key properties of 4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 374.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 25121551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).