N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-difluoropyridine-4-carboxamide

C27H15F4N7O — CID 118538710

IUPACN-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-difluoropyridine-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc3)ccc2n1)c1cc(F)nc(F)c1
InChIInChI=1S/C27H15F4N7O/c28-17-3-1-15(2-4-17)25-26(37(14-32-25)19-7-5-18(29)6-8-19)20-9-10-24-34-23(13-38(24)36-20)35-27(39)16-11-21(30)33-22(31)12-16/h1-14H,(H,35,39)
InChIKeyQQNCIBSNWAIMAE-UHFFFAOYSA-N
MW529.46 g/mol
LogP5.45
Rot. Bonds5

About N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-difluoropyridine-4-carboxamide

N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-difluoropyridine-4-carboxamide (PubChem CID 118538710) has the molecular formula C27H15F4N7O and a molecular weight of 529.46 g/mol. Its IUPAC name is N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-difluoropyridine-4-carboxamide
PubChem CID118538710
Molecular FormulaC27H15F4N7O
Molecular Weight529.46 g/mol
Exact Mass529.13
IUPAC NameN-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-difluoropyridine-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc3)ccc2n1)c1cc(F)nc(F)c1
InChIInChI=1S/C27H15F4N7O/c28-17-3-1-15(2-4-17)25-26(37(14-32-25)19-7-5-18(29)6-8-19)20-9-10-24-34-23(13-38(24)36-20)35-27(39)16-11-21(30)33-22(31)12-16/h1-14H,(H,35,39)
InChIKeyQQNCIBSNWAIMAE-UHFFFAOYSA-N
XLogP5.45
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.46
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 75593328
2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118538943
2-fluoro-N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90246087
N-[6-[5-(4-chlorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
CID 118538836
2-amino-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118538866
2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(3-sulfamoylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118545285
3,5-difluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 118537121
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 90246106
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-2-carboxamide
CID 118538650
2-fluoro-N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90241795
N-[6-[3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
CID 118538679
2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(2-hydroxyacetyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118547761

Frequently Asked Questions

What is the IUPAC name of N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-difluoropyridine-4-carboxamide?
The IUPAC name of N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-difluoropyridine-4-carboxamide (CID 118538710) is N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-difluoropyridine-4-carboxamide?
The canonical SMILES for N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-difluoropyridine-4-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc3)ccc2n1)c1cc(F)nc(F)c1.
What is the InChIKey of N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-difluoropyridine-4-carboxamide?
The InChIKey is QQNCIBSNWAIMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15F4N7O/c28-17-3-1-15(2-4-17)25-26(37(14-32-25)19-7-5-18(29)6-8-19)20-9-10-24-34-23(13-38(24)36-20)35-27(39)16-11-21(30)33-22(31)12-16/h1-14H,(H,35,39).
What are the key properties of N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-difluoropyridine-4-carboxamide?
N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-difluoropyridine-4-carboxamide has a molecular weight of 529.46 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-difluoropyridine-4-carboxamide is sourced from PubChem (CID 118538710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).