1-[3-[6-(3-phenoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone

C26H19N3O2 — CID 71728500

IUPAC1-[3-[6-(3-phenoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc3ccc(-c4cccc(Oc5ccccc5)c4)nn23)c1
InChIInChI=1S/C26H19N3O2/c1-18(30)19-7-5-9-21(15-19)25-17-27-26-14-13-24(28-29(25)26)20-8-6-12-23(16-20)31-22-10-3-2-4-11-22/h2-17H,1H3
InChIKeyGPWLHXHMKMNASY-UHFFFAOYSA-N
MW405.46 g/mol
LogP6.06
Rot. Bonds5

About 1-[3-[6-(3-phenoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone

1-[3-[6-(3-phenoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone (PubChem CID 71728500) has the molecular formula C26H19N3O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 1-[3-[6-(3-phenoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[6-(3-phenoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
PubChem CID71728500
Molecular FormulaC26H19N3O2
Molecular Weight405.46 g/mol
Exact Mass405.15
IUPAC Name1-[3-[6-(3-phenoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc3ccc(-c4cccc(Oc5ccccc5)c4)nn23)c1
InChIInChI=1S/C26H19N3O2/c1-18(30)19-7-5-9-21(15-19)25-17-27-26-14-13-24(28-29(25)26)20-8-6-12-23(16-20)31-22-10-3-2-4-11-22/h2-17H,1H3
InChIKeyGPWLHXHMKMNASY-UHFFFAOYSA-N
XLogP6.06
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-Amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)phenyl]-3-(4-phenylmethoxyphenyl)urea
CID 16739855
1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255
1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
2-Methoxy-4-[6-(Propan-2-Ylamino)imidazo[1,2-B]pyridazin-3-Yl]benzamide
CID 136664429
3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-benzoic acid ethyl ester
CID 11268096
1-[3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-phenyl]-ethanone
CID 11359069
Propan-2-yl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate
CID 24774930
4-[6-(3,4-Dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 25121551
2-Furan-2-yl-6-(3-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamine
CID 44403175
Methyl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate
CID 46232194
(4-Methylpiperazin-1-yl)-[3-[6-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanone
CID 46948375

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(3-phenoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[6-(3-phenoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone (CID 71728500) is 1-[3-[6-(3-phenoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[6-(3-phenoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[6-(3-phenoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone is CC(=O)c1cccc(-c2cnc3ccc(-c4cccc(Oc5ccccc5)c4)nn23)c1.
What is the InChIKey of 1-[3-[6-(3-phenoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone?
The InChIKey is GPWLHXHMKMNASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O2/c1-18(30)19-7-5-9-21(15-19)25-17-27-26-14-13-24(28-29(25)26)20-8-6-12-23(16-20)31-22-10-3-2-4-11-22/h2-17H,1H3.
What are the key properties of 1-[3-[6-(3-phenoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone?
1-[3-[6-(3-phenoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone has a molecular weight of 405.46 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(3-phenoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone is sourced from PubChem (CID 71728500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).