2-(cyclobutadienyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine

C19H18N6 — CID 66698021

IUPAC2-(cyclobutadienyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESC1=CC(c2nc3ccc(N4CCNCC4)nn3c2-c2ccncc2)=C1
InChIInChI=1S/C19H18N6/c1-2-14(3-1)18-19(15-6-8-20-9-7-15)25-16(22-18)4-5-17(23-25)24-12-10-21-11-13-24/h1-9,21H,10-13H2
InChIKeyKEBDTVNEKUAORD-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.15
Rot. Bonds3

About 2-(cyclobutadienyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine

2-(cyclobutadienyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 66698021) has the molecular formula C19H18N6 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(cyclobutadienyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(cyclobutadienyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID66698021
Molecular FormulaC19H18N6
Molecular Weight330.39 g/mol
Exact Mass330.16
IUPAC Name2-(cyclobutadienyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESC1=CC(c2nc3ccc(N4CCNCC4)nn3c2-c2ccncc2)=C1
InChIInChI=1S/C19H18N6/c1-2-14(3-1)18-19(15-6-8-20-9-7-15)25-16(22-18)4-5-17(23-25)24-12-10-21-11-13-24/h1-9,21H,10-13H2
InChIKeyKEBDTVNEKUAORD-UHFFFAOYSA-N
XLogP2.15
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 44815798
2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25143825
6-piperidin-1-yl-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine
CID 46197475
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 68514785
9-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecane
CID 46245022
2-(3-fluorophenyl)-6-(3-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 68517521
6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazine
CID 46836952
2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol
CID 68516909
1-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 25145504
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine
CID 75216343
1-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpyrrolidin-3-amine
CID 25144809
2-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25144234

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutadienyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(cyclobutadienyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 66698021) is 2-(cyclobutadienyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(cyclobutadienyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(cyclobutadienyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine is C1=CC(c2nc3ccc(N4CCNCC4)nn3c2-c2ccncc2)=C1.
What is the InChIKey of 2-(cyclobutadienyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is KEBDTVNEKUAORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-2-14(3-1)18-19(15-6-8-20-9-7-15)25-16(22-18)4-5-17(23-25)24-12-10-21-11-13-24/h1-9,21H,10-13H2.
What are the key properties of 2-(cyclobutadienyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
2-(cyclobutadienyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 330.39 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutadienyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 66698021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).