N-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]methanesulfonamide

C23H23FN6O2S — CID 58335756

IUPACN-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cnc3ccc(N4CCCCC4c4cccc(F)c4)nn23)n1
InChIInChI=1S/C23H23FN6O2S/c1-33(31,32)28-21-10-5-8-18(26-21)20-15-25-22-11-12-23(27-30(20)22)29-13-3-2-9-19(29)16-6-4-7-17(24)14-16/h4-8,10-12,14-15,19H,2-3,9,13H2,1H3,(H,26,28)
InChIKeyRMQBQMADXITARZ-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.03
Rot. Bonds5

About N-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]methanesulfonamide

N-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]methanesulfonamide (PubChem CID 58335756) has the molecular formula C23H23FN6O2S and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]methanesulfonamide
PubChem CID58335756
Molecular FormulaC23H23FN6O2S
Molecular Weight466.54 g/mol
Exact Mass466.16
IUPAC NameN-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cnc3ccc(N4CCCCC4c4cccc(F)c4)nn23)n1
InChIInChI=1S/C23H23FN6O2S/c1-33(31,32)28-21-10-5-8-18(26-21)20-15-25-22-11-12-23(27-30(20)22)29-13-3-2-9-19(29)16-6-4-7-17(24)14-16/h4-8,10-12,14-15,19H,2-3,9,13H2,1H3,(H,26,28)
InChIKeyRMQBQMADXITARZ-UHFFFAOYSA-N
XLogP4.03
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]methanesulfonamide (CID 58335756) is N-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2cnc3ccc(N4CCCCC4c4cccc(F)c4)nn23)n1.
What is the InChIKey of N-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]methanesulfonamide?
The InChIKey is RMQBQMADXITARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2S/c1-33(31,32)28-21-10-5-8-18(26-21)20-15-25-22-11-12-23(27-30(20)22)29-13-3-2-9-19(29)16-6-4-7-17(24)14-16/h4-8,10-12,14-15,19H,2-3,9,13H2,1H3,(H,26,28).
What are the key properties of N-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]methanesulfonamide?
N-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]methanesulfonamide has a molecular weight of 466.54 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 58335756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).