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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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).