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

C25H27N5O3 — CID 155554419

IUPAC3-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCOc1ccc(-c2ccc3ncc(-c4cccc(C(=O)NCCN(C)C)c4)n3n2)cc1OC
InChIInChI=1S/C25H27N5O3/c1-29(2)13-12-26-25(31)19-7-5-6-18(14-19)21-16-27-24-11-9-20(28-30(21)24)17-8-10-22(32-3)23(15-17)33-4/h5-11,14-16H,12-13H2,1-4H3,(H,26,31)
InChIKeyFVODRTVCBCPUQA-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.37
Rot. Bonds8

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

3-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 155554419) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 3-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID155554419
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name3-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCOc1ccc(-c2ccc3ncc(-c4cccc(C(=O)NCCN(C)C)c4)n3n2)cc1OC
InChIInChI=1S/C25H27N5O3/c1-29(2)13-12-26-25(31)19-7-5-6-18(14-19)21-16-27-24-11-9-20(28-30(21)24)17-8-10-22(32-3)23(15-17)33-4/h5-11,14-16H,12-13H2,1-4H3,(H,26,31)
InChIKeyFVODRTVCBCPUQA-UHFFFAOYSA-N
XLogP3.37
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 3-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide (CID 155554419) is 3-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 3-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 3-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide is COc1ccc(-c2ccc3ncc(-c4cccc(C(=O)NCCN(C)C)c4)n3n2)cc1OC.
What is the InChIKey of 3-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is FVODRTVCBCPUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-29(2)13-12-26-25(31)19-7-5-6-18(14-19)21-16-27-24-11-9-20(28-30(21)24)17-8-10-22(32-3)23(15-17)33-4/h5-11,14-16H,12-13H2,1-4H3,(H,26,31).
What are the key properties of 3-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide?
3-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 445.52 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 155554419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).