8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde

C16H12FN3O — CID 144817546

IUPAC8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde
SMILESO=Cc1cn2nc(-c3ccc(F)cc3)cc(C3CC3)c2n1
InChIInChI=1S/C16H12FN3O/c17-12-5-3-11(4-6-12)15-7-14(10-1-2-10)16-18-13(9-21)8-20(16)19-15/h3-10H,1-2H2
InChIKeyMGPWIRXCCGVRKH-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.23
Rot. Bonds3

About 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde

8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde (PubChem CID 144817546) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde.

Molecular Properties

Compound Name8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde
PubChem CID144817546
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde
SMILESO=Cc1cn2nc(-c3ccc(F)cc3)cc(C3CC3)c2n1
InChIInChI=1S/C16H12FN3O/c17-12-5-3-11(4-6-12)15-7-14(10-1-2-10)16-18-13(9-21)8-20(16)19-15/h3-10H,1-2H2
InChIKeyMGPWIRXCCGVRKH-UHFFFAOYSA-N
XLogP3.23
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817670
6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817332
8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;1-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 144817753
8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;3-[1-(3,3,4-trimethylpiperazin-1-yl)ethenyl]cyclobutane-1-carboxylic acid
CID 144817566
6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817267
8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 144817833
N-amino-N',3,3,4-tetramethyl-2-oxopiperazine-1-carboximidamide;8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817129
6-[3-fluoro-4-(trifluoromethyl)phenyl]-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817626
4-cyclopropyl-6-ethoxy-5-(4-fluorophenyl)pyridine-2-carbaldehyde
CID 90423946
6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine
CID 144817790
6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine
CID 144817164
6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1-(1H-imidazol-5-yl)-3,3,4-trimethylpiperazin-2-one
CID 144817526

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde?
The IUPAC name of 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde (CID 144817546) is 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde.
What is the SMILES notation for 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde?
The canonical SMILES for 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde is O=Cc1cn2nc(-c3ccc(F)cc3)cc(C3CC3)c2n1.
What is the InChIKey of 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde?
The InChIKey is MGPWIRXCCGVRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-12-5-3-11(4-6-12)15-7-14(10-1-2-10)16-18-13(9-21)8-20(16)19-15/h3-10H,1-2H2.
What are the key properties of 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde?
8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde has a molecular weight of 281.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde is sourced from PubChem (CID 144817546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).