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

C19H14N4O2 — CID 135316147

IUPAC3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESNC(=O)c1cccc(-c2ccc3ncc(-c4cccc(O)c4)n3n2)c1
InChIInChI=1S/C19H14N4O2/c20-19(25)14-5-1-3-12(9-14)16-7-8-18-21-11-17(23(18)22-16)13-4-2-6-15(24)10-13/h1-11,24H,(H2,20,25)
InChIKeyOKTQQTBVSUDJFI-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.87
Rot. Bonds3

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

3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide (PubChem CID 135316147) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide.

Molecular Properties

Compound Name3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
PubChem CID135316147
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESNC(=O)c1cccc(-c2ccc3ncc(-c4cccc(O)c4)n3n2)c1
InChIInChI=1S/C19H14N4O2/c20-19(25)14-5-1-3-12(9-14)16-7-8-18-21-11-17(23(18)22-16)13-4-2-6-15(24)10-13/h1-11,24H,(H2,20,25)
InChIKeyOKTQQTBVSUDJFI-UHFFFAOYSA-N
XLogP2.87
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone
CID 16259746
(2-hydroxy-5-methylphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 901814
(2-hydroxyphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 1211941
4-[6-(3,4-Dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 25121551
3-[6-[(4-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 44530402
5-[[6-(3-hydroxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2H-isoquinolin-1-one
CID 57400211
3-[6-(Propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 57418692
3-(imidazo[1,2-b]pyridazin-6-yloxy)-N-phenylbenzamide
CID 57441068
N-(2-dimethylamino-ethyl)-3-[6-[3-(hydroxymethyl) phenyl]imidazo [1,2-b]pyridazin-3-yl]benzamide
CID 117769500
3-[3-(3-Acetylphenyl) imidazo[1,2-b]pyridazin-6-yl]benzamide
CID 126672914
N-(2-hydroxyethyl)-3-[3-(3-hydroxyphenyl) imidazo[1,2-b]pyridazin-6-yl]benzamide
CID 126673155
US10214537, Example 13
CID 132210105

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The IUPAC name of 3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide (CID 135316147) is 3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide.
What is the SMILES notation for 3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The canonical SMILES for 3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide is NC(=O)c1cccc(-c2ccc3ncc(-c4cccc(O)c4)n3n2)c1.
What is the InChIKey of 3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The InChIKey is OKTQQTBVSUDJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c20-19(25)14-5-1-3-12(9-14)16-7-8-18-21-11-17(23(18)22-16)13-4-2-6-15(24)10-13/h1-11,24H,(H2,20,25).
What are the key properties of 3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide has a molecular weight of 330.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide is sourced from PubChem (CID 135316147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).