N-[4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]oxane-4-carboxamide

C25H24FN5O2 — CID 122179544

IUPACN-[4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(-c2cnc3ccc(NCc4cccc(F)c4)nn23)cc1)C1CCOCC1
InChIInChI=1S/C25H24FN5O2/c26-20-3-1-2-17(14-20)15-27-23-8-9-24-28-16-22(31(24)30-23)18-4-6-21(7-5-18)29-25(32)19-10-12-33-13-11-19/h1-9,14,16,19H,10-13,15H2,(H,27,30)(H,29,32)
InChIKeyBYKSLICDLDTYLA-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.51
Rot. Bonds6

About N-[4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]oxane-4-carboxamide

N-[4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]oxane-4-carboxamide (PubChem CID 122179544) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is N-[4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]oxane-4-carboxamide
PubChem CID122179544
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC NameN-[4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(-c2cnc3ccc(NCc4cccc(F)c4)nn23)cc1)C1CCOCC1
InChIInChI=1S/C25H24FN5O2/c26-20-3-1-2-17(14-20)15-27-23-8-9-24-28-16-22(31(24)30-23)18-4-6-21(7-5-18)29-25(32)19-10-12-33-13-11-19/h1-9,14,16,19H,10-13,15H2,(H,27,30)(H,29,32)
InChIKeyBYKSLICDLDTYLA-UHFFFAOYSA-N
XLogP4.51
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]oxane-4-carboxamide?
The IUPAC name of N-[4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]oxane-4-carboxamide (CID 122179544) is N-[4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]oxane-4-carboxamide is O=C(Nc1ccc(-c2cnc3ccc(NCc4cccc(F)c4)nn23)cc1)C1CCOCC1.
What is the InChIKey of N-[4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]oxane-4-carboxamide?
The InChIKey is BYKSLICDLDTYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c26-20-3-1-2-17(14-20)15-27-23-8-9-24-28-16-22(31(24)30-23)18-4-6-21(7-5-18)29-25(32)19-10-12-33-13-11-19/h1-9,14,16,19H,10-13,15H2,(H,27,30)(H,29,32).
What are the key properties of N-[4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]oxane-4-carboxamide?
N-[4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]oxane-4-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]oxane-4-carboxamide is sourced from PubChem (CID 122179544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).