2-cyclohexyl-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxaline

C22H22FN5 — CID 158932290

IUPAC2-cyclohexyl-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxaline
SMILESCc1cn2nc(-c3cc(F)c4nc(C5CCCCC5)cnc4c3)cc(C)c2n1
InChIInChI=1S/C22H22FN5/c1-13-8-18(27-28-12-14(2)25-22(13)28)16-9-17(23)21-19(10-16)24-11-20(26-21)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3
InChIKeyDFLRBYNDBIVMKA-UHFFFAOYSA-N
MW375.45 g/mol
LogP5.14
Rot. Bonds2

About 2-cyclohexyl-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxaline

2-cyclohexyl-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxaline (PubChem CID 158932290) has the molecular formula C22H22FN5 and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-cyclohexyl-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxaline.

Molecular Properties

Compound Name2-cyclohexyl-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxaline
PubChem CID158932290
Molecular FormulaC22H22FN5
Molecular Weight375.45 g/mol
Exact Mass375.19
IUPAC Name2-cyclohexyl-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxaline
SMILESCc1cn2nc(-c3cc(F)c4nc(C5CCCCC5)cnc4c3)cc(C)c2n1
InChIInChI=1S/C22H22FN5/c1-13-8-18(27-28-12-14(2)25-22(13)28)16-9-17(23)21-19(10-16)24-11-20(26-21)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3
InChIKeyDFLRBYNDBIVMKA-UHFFFAOYSA-N
XLogP5.14
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxaline?
The IUPAC name of 2-cyclohexyl-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxaline (CID 158932290) is 2-cyclohexyl-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxaline.
What is the SMILES notation for 2-cyclohexyl-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxaline?
The canonical SMILES for 2-cyclohexyl-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxaline is Cc1cn2nc(-c3cc(F)c4nc(C5CCCCC5)cnc4c3)cc(C)c2n1.
What is the InChIKey of 2-cyclohexyl-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxaline?
The InChIKey is DFLRBYNDBIVMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5/c1-13-8-18(27-28-12-14(2)25-22(13)28)16-9-17(23)21-19(10-16)24-11-20(26-21)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3.
What are the key properties of 2-cyclohexyl-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxaline?
2-cyclohexyl-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxaline has a molecular weight of 375.45 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxaline is sourced from PubChem (CID 158932290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).