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

C22H20N6 — CID 68517752

IUPAC6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESc1ccc(-c2nc3ccc(N4CC5CC4CN5)nn3c2-c2ccncc2)cc1
InChIInChI=1S/C22H20N6/c1-2-4-15(5-3-1)21-22(16-8-10-23-11-9-16)28-19(25-21)6-7-20(26-28)27-14-17-12-18(27)13-24-17/h1-11,17-18,24H,12-14H2
InChIKeyLOQNSWCDIPVRJS-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.01
Rot. Bonds3

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

6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 68517752) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID68517752
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC Name6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESc1ccc(-c2nc3ccc(N4CC5CC4CN5)nn3c2-c2ccncc2)cc1
InChIInChI=1S/C22H20N6/c1-2-4-15(5-3-1)21-22(16-8-10-23-11-9-16)28-19(25-21)6-7-20(26-28)27-14-17-12-18(27)13-24-17/h1-11,17-18,24H,12-14H2
InChIKeyLOQNSWCDIPVRJS-UHFFFAOYSA-N
XLogP3.01
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.01
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-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 68517752) is 6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-phenyl-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-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine is c1ccc(-c2nc3ccc(N4CC5CC4CN5)nn3c2-c2ccncc2)cc1.
What is the InChIKey of 6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is LOQNSWCDIPVRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c1-2-4-15(5-3-1)21-22(16-8-10-23-11-9-16)28-19(25-21)6-7-20(26-28)27-14-17-12-18(27)13-24-17/h1-11,17-18,24H,12-14H2.
What are the key properties of 6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 368.44 g/mol, XLogP of 3.01, 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-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 68517752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).