11-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,9-diazaspiro[5.5]undecane

C25H26FN7 — CID 91434387

IUPAC11-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,9-diazaspiro[5.5]undecane
SMILESFc1ccc(-c2nc3ccc(C4CNCCC45CCCNC5)nn3c2-c2ccnnc2)cc1
InChIInChI=1S/C25H26FN7/c26-19-4-2-17(3-5-19)23-24(18-8-12-29-30-14-18)33-22(31-23)7-6-21(32-33)20-15-27-13-10-25(20)9-1-11-28-16-25/h2-8,12,14,20,27-28H,1,9-11,13,15-16H2
InChIKeyWQZSDTGVHGNVFB-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.44
Rot. Bonds3

About 11-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,9-diazaspiro[5.5]undecane

11-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,9-diazaspiro[5.5]undecane (PubChem CID 91434387) has the molecular formula C25H26FN7 and a molecular weight of 443.53 g/mol. Its IUPAC name is 11-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name11-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,9-diazaspiro[5.5]undecane
PubChem CID91434387
Molecular FormulaC25H26FN7
Molecular Weight443.53 g/mol
Exact Mass443.22
IUPAC Name11-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,9-diazaspiro[5.5]undecane
SMILESFc1ccc(-c2nc3ccc(C4CNCCC45CCCNC5)nn3c2-c2ccnnc2)cc1
InChIInChI=1S/C25H26FN7/c26-19-4-2-17(3-5-19)23-24(18-8-12-29-30-14-18)33-22(31-23)7-6-21(32-33)20-15-27-13-10-25(20)9-1-11-28-16-25/h2-8,12,14,20,27-28H,1,9-11,13,15-16H2
InChIKeyWQZSDTGVHGNVFB-UHFFFAOYSA-N
XLogP3.44
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazine
CID 25226802
2-(4-fluorophenyl)-3-pyridazin-4-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine
CID 25226991
6-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazine
CID 91220235
2-[5-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
CID 25227356
2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25143825
4-(4-fluorophenyl)pyridazine
CID 174622993
9-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecane
CID 46245022
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine
CID 68519598
[4-[6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]methanamine
CID 68517903
4-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine;ethane
CID 143254997
2-(4-fluorophenyl)-3-(4-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazine
CID 71699300
1-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpyrrolidin-3-amine
CID 25144809

Frequently Asked Questions

What is the IUPAC name of 11-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 11-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,9-diazaspiro[5.5]undecane (CID 91434387) is 11-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 11-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 11-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,9-diazaspiro[5.5]undecane is Fc1ccc(-c2nc3ccc(C4CNCCC45CCCNC5)nn3c2-c2ccnnc2)cc1.
What is the InChIKey of 11-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,9-diazaspiro[5.5]undecane?
The InChIKey is WQZSDTGVHGNVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7/c26-19-4-2-17(3-5-19)23-24(18-8-12-29-30-14-18)33-22(31-23)7-6-21(32-33)20-15-27-13-10-25(20)9-1-11-28-16-25/h2-8,12,14,20,27-28H,1,9-11,13,15-16H2.
What are the key properties of 11-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,9-diazaspiro[5.5]undecane?
11-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,9-diazaspiro[5.5]undecane has a molecular weight of 443.53 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 91434387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).