8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine

C16H16FN3 — CID 151652380

IUPAC8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine
SMILESCC(C)(C)c1cc(-c2ccc(F)cc2)nn2ccnc12
InChIInChI=1S/C16H16FN3/c1-16(2,3)13-10-14(11-4-6-12(17)7-5-11)19-20-9-8-18-15(13)20/h4-10H,1-3H3
InChIKeyQUTXDXRKRXPQGO-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.83
Rot. Bonds1

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

8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine (PubChem CID 151652380) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine
PubChem CID151652380
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine
SMILESCC(C)(C)c1cc(-c2ccc(F)cc2)nn2ccnc12
InChIInChI=1S/C16H16FN3/c1-16(2,3)13-10-14(11-4-6-12(17)7-5-11)19-20-9-8-18-15(13)20/h4-10H,1-3H3
InChIKeyQUTXDXRKRXPQGO-UHFFFAOYSA-N
XLogP3.83
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine
CID 50772078
6-tert-butyl-8-fluoroimidazo[1,2-b]pyridazine
CID 59580151
6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817332
N-(1-tert-butylpyrazol-3-yl)-6-phenylimidazo[1,2-b]pyridazin-8-amine
CID 71525436
4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]morpholine
CID 53333624
2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82444919
8-(4-fluorophenyl)imidazo[1,2-a]pyrazine
CID 151841576
6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447358
8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;1-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 144817753
6-phenylimidazo[1,2-b]pyridazine-8-carboxamide
CID 173082781
2-(4-fluorophenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 56770785
6-[3-(1,1-difluoro-2-methylbutan-2-yl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine
CID 146410177

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine (CID 151652380) is 8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine is CC(C)(C)c1cc(-c2ccc(F)cc2)nn2ccnc12.
What is the InChIKey of 8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine?
The InChIKey is QUTXDXRKRXPQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-16(2,3)13-10-14(11-4-6-12(17)7-5-11)19-20-9-8-18-15(13)20/h4-10H,1-3H3.
What are the key properties of 8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine?
8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine has a molecular weight of 269.32 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 151652380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).