3,4-diethoxy-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide

C24H24N4O4 — CID 16886042

IUPAC3,4-diethoxy-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3cn4nc(OC)ccc4n3)cc2)cc1OCC
InChIInChI=1S/C24H24N4O4/c1-4-31-20-11-8-17(14-21(20)32-5-2)24(29)25-18-9-6-16(7-10-18)19-15-28-22(26-19)12-13-23(27-28)30-3/h6-15H,4-5H2,1-3H3,(H,25,29)
InChIKeySCGQDEVUIKUFHJ-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.45
Rot. Bonds8

About 3,4-diethoxy-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide

3,4-diethoxy-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide (PubChem CID 16886042) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3,4-diethoxy-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
PubChem CID16886042
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name3,4-diethoxy-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3cn4nc(OC)ccc4n3)cc2)cc1OCC
InChIInChI=1S/C24H24N4O4/c1-4-31-20-11-8-17(14-21(20)32-5-2)24(29)25-18-9-6-16(7-10-18)19-15-28-22(26-19)12-13-23(27-28)30-3/h6-15H,4-5H2,1-3H3,(H,25,29)
InChIKeySCGQDEVUIKUFHJ-UHFFFAOYSA-N
XLogP4.45
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide (CID 16886042) is 3,4-diethoxy-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(-c3cn4nc(OC)ccc4n3)cc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The InChIKey is SCGQDEVUIKUFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-4-31-20-11-8-17(14-21(20)32-5-2)24(29)25-18-9-6-16(7-10-18)19-15-28-22(26-19)12-13-23(27-28)30-3/h6-15H,4-5H2,1-3H3,(H,25,29).
What are the key properties of 3,4-diethoxy-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
3,4-diethoxy-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide has a molecular weight of 432.48 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide is sourced from PubChem (CID 16886042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).