6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine

C22H19FN6 — CID 74396249

IUPAC6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESFc1ccc(-c2nc3ccc(N4CC5CC4CN5)nn3c2-c2ccncc2)cc1
InChIInChI=1S/C22H19FN6/c23-16-3-1-14(2-4-16)21-22(15-7-9-24-10-8-15)29-19(26-21)5-6-20(27-29)28-13-17-11-18(28)12-25-17/h1-10,17-18,25H,11-13H2
InChIKeyCFBORTHRXUCBPD-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.15
Rot. Bonds3

About 6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine

6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 74396249) has the molecular formula C22H19FN6 and a molecular weight of 386.43 g/mol. Its IUPAC name is 6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID74396249
Molecular FormulaC22H19FN6
Molecular Weight386.43 g/mol
Exact Mass386.17
IUPAC Name6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESFc1ccc(-c2nc3ccc(N4CC5CC4CN5)nn3c2-c2ccncc2)cc1
InChIInChI=1S/C22H19FN6/c23-16-3-1-14(2-4-16)21-22(15-7-9-24-10-8-15)29-19(26-21)5-6-20(27-29)28-13-17-11-18(28)12-25-17/h1-10,17-18,25H,11-13H2
InChIKeyCFBORTHRXUCBPD-UHFFFAOYSA-N
XLogP3.15
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 74396249) is 6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is Fc1ccc(-c2nc3ccc(N4CC5CC4CN5)nn3c2-c2ccncc2)cc1.
What is the InChIKey of 6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is CFBORTHRXUCBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6/c23-16-3-1-14(2-4-16)21-22(15-7-9-24-10-8-15)29-19(26-21)5-6-20(27-29)28-13-17-11-18(28)12-25-17/h1-10,17-18,25H,11-13H2.
What are the key properties of 6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 386.43 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 74396249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).