[4-(2-ethylphenyl)cyclohexyl]-imidazo[1,2-b]pyridazin-2-ylmethanone

C21H23N3O — CID 144718899

IUPAC[4-(2-ethylphenyl)cyclohexyl]-imidazo[1,2-b]pyridazin-2-ylmethanone
SMILESCCc1ccccc1C1CCC(C(=O)c2cn3ncccc3n2)CC1
InChIInChI=1S/C21H23N3O/c1-2-15-6-3-4-7-18(15)16-9-11-17(12-10-16)21(25)19-14-24-20(23-19)8-5-13-22-24/h3-8,13-14,16-17H,2,9-12H2,1H3
InChIKeyVVKGWBACHMXWIF-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.45
Rot. Bonds4

About [4-(2-ethylphenyl)cyclohexyl]-imidazo[1,2-b]pyridazin-2-ylmethanone

[4-(2-ethylphenyl)cyclohexyl]-imidazo[1,2-b]pyridazin-2-ylmethanone (PubChem CID 144718899) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is [4-(2-ethylphenyl)cyclohexyl]-imidazo[1,2-b]pyridazin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-ethylphenyl)cyclohexyl]-imidazo[1,2-b]pyridazin-2-ylmethanone
PubChem CID144718899
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name[4-(2-ethylphenyl)cyclohexyl]-imidazo[1,2-b]pyridazin-2-ylmethanone
SMILESCCc1ccccc1C1CCC(C(=O)c2cn3ncccc3n2)CC1
InChIInChI=1S/C21H23N3O/c1-2-15-6-3-4-7-18(15)16-9-11-17(12-10-16)21(25)19-14-24-20(23-19)8-5-13-22-24/h3-8,13-14,16-17H,2,9-12H2,1H3
InChIKeyVVKGWBACHMXWIF-UHFFFAOYSA-N
XLogP4.45
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ocinaplon
CID 216456
7-(2-(1H-Imidazol-1-yl)-5-methylimidazo(1,5-b)pyridazin-7-yl)-1-phenyl-1-heptanone
CID 189892
7-(5-Methylimidazo[1,5-b]pyridazin-7-yl)-1-phenyl-1-heptanone
CID 455577
Imidazopyridazin 1
CID 5459373
7-[5-Methyl-2-(1-pyrrolyl)imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455585
7-[5-Methyl-2-(triazol-1-yl)imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-heptan-1-one
CID 455588
7-[2-(5-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455591
7-[2-(4-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455592
7-[2-(2-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455593
1-[3-(4-Amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)phenyl]-3-phenylurea
CID 16739794
7-(5-Methyl-2-pyrazol-1-yl-imidazo[1,5-b]pyridazin-7-yl)-1-phenyl-heptan-1-one
CID 455586
7-[5-Methyl-2-(triazol-2-yl)imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-heptan-1-one
CID 455590

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylphenyl)cyclohexyl]-imidazo[1,2-b]pyridazin-2-ylmethanone?
The IUPAC name of [4-(2-ethylphenyl)cyclohexyl]-imidazo[1,2-b]pyridazin-2-ylmethanone (CID 144718899) is [4-(2-ethylphenyl)cyclohexyl]-imidazo[1,2-b]pyridazin-2-ylmethanone.
What is the SMILES notation for [4-(2-ethylphenyl)cyclohexyl]-imidazo[1,2-b]pyridazin-2-ylmethanone?
The canonical SMILES for [4-(2-ethylphenyl)cyclohexyl]-imidazo[1,2-b]pyridazin-2-ylmethanone is CCc1ccccc1C1CCC(C(=O)c2cn3ncccc3n2)CC1.
What is the InChIKey of [4-(2-ethylphenyl)cyclohexyl]-imidazo[1,2-b]pyridazin-2-ylmethanone?
The InChIKey is VVKGWBACHMXWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-2-15-6-3-4-7-18(15)16-9-11-17(12-10-16)21(25)19-14-24-20(23-19)8-5-13-22-24/h3-8,13-14,16-17H,2,9-12H2,1H3.
What are the key properties of [4-(2-ethylphenyl)cyclohexyl]-imidazo[1,2-b]pyridazin-2-ylmethanone?
[4-(2-ethylphenyl)cyclohexyl]-imidazo[1,2-b]pyridazin-2-ylmethanone has a molecular weight of 333.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylphenyl)cyclohexyl]-imidazo[1,2-b]pyridazin-2-ylmethanone is sourced from PubChem (CID 144718899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).