3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]-N-(2-hydroxyethyl)benzamide

C23H20N4O3 — CID 126672999

IUPAC3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]-N-(2-hydroxyethyl)benzamide
SMILESCC(=O)c1cccc(-c2cnc3ccc(-c4cccc(C(=O)NCCO)c4)nn23)c1
InChIInChI=1S/C23H20N4O3/c1-15(29)16-4-2-6-18(12-16)21-14-25-22-9-8-20(26-27(21)22)17-5-3-7-19(13-17)23(30)24-10-11-28/h2-9,12-14,28H,10-11H2,1H3,(H,24,30)
InChIKeyLDVGSMDCOLFIJL-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.99
Rot. Bonds6

About 3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]-N-(2-hydroxyethyl)benzamide

3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]-N-(2-hydroxyethyl)benzamide (PubChem CID 126672999) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]-N-(2-hydroxyethyl)benzamide
PubChem CID126672999
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]-N-(2-hydroxyethyl)benzamide
SMILESCC(=O)c1cccc(-c2cnc3ccc(-c4cccc(C(=O)NCCO)c4)nn23)c1
InChIInChI=1S/C23H20N4O3/c1-15(29)16-4-2-6-18(12-16)21-14-25-22-9-8-20(26-27(21)22)17-5-3-7-19(13-17)23(30)24-10-11-28/h2-9,12-14,28H,10-11H2,1H3,(H,24,30)
InChIKeyLDVGSMDCOLFIJL-UHFFFAOYSA-N
XLogP2.99
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]-N-(2-hydroxyethyl)benzamide (CID 126672999) is 3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]-N-(2-hydroxyethyl)benzamide is CC(=O)c1cccc(-c2cnc3ccc(-c4cccc(C(=O)NCCO)c4)nn23)c1.
What is the InChIKey of 3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]-N-(2-hydroxyethyl)benzamide?
The InChIKey is LDVGSMDCOLFIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-15(29)16-4-2-6-18(12-16)21-14-25-22-9-8-20(26-27(21)22)17-5-3-7-19(13-17)23(30)24-10-11-28/h2-9,12-14,28H,10-11H2,1H3,(H,24,30).
What are the key properties of 3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]-N-(2-hydroxyethyl)benzamide?
3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]-N-(2-hydroxyethyl)benzamide has a molecular weight of 400.44 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 126672999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).