N-[5-[6-(2-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide

C23H19F4N5O — CID 57407088

IUPACN-[5-[6-(2-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(-c2cn3nc(-c4cccnc4F)ccc3n2)ccc1C(F)(F)F
InChIInChI=1S/C23H19F4N5O/c1-22(2,3)21(33)30-17-11-13(6-7-15(17)23(25,26)27)18-12-32-19(29-18)9-8-16(31-32)14-5-4-10-28-20(14)24/h4-12H,1-3H3,(H,30,33)
InChIKeyDRDJDTKSVKGDEN-UHFFFAOYSA-N
MW457.43 g/mol
LogP5.60
Rot. Bonds3

About N-[5-[6-(2-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide

N-[5-[6-(2-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 57407088) has the molecular formula C23H19F4N5O and a molecular weight of 457.43 g/mol. Its IUPAC name is N-[5-[6-(2-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[6-(2-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
PubChem CID57407088
Molecular FormulaC23H19F4N5O
Molecular Weight457.43 g/mol
Exact Mass457.15
IUPAC NameN-[5-[6-(2-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(-c2cn3nc(-c4cccnc4F)ccc3n2)ccc1C(F)(F)F
InChIInChI=1S/C23H19F4N5O/c1-22(2,3)21(33)30-17-11-13(6-7-15(17)23(25,26)27)18-12-32-19(29-18)9-8-16(31-32)14-5-4-10-28-20(14)24/h4-12H,1-3H3,(H,30,33)
InChIKeyDRDJDTKSVKGDEN-UHFFFAOYSA-N
XLogP5.60
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.43
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(2-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[6-(2-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (CID 57407088) is N-[5-[6-(2-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[6-(2-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[6-(2-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(-c2cn3nc(-c4cccnc4F)ccc3n2)ccc1C(F)(F)F.
What is the InChIKey of N-[5-[6-(2-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is DRDJDTKSVKGDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N5O/c1-22(2,3)21(33)30-17-11-13(6-7-15(17)23(25,26)27)18-12-32-19(29-18)9-8-16(31-32)14-5-4-10-28-20(14)24/h4-12H,1-3H3,(H,30,33).
What are the key properties of N-[5-[6-(2-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
N-[5-[6-(2-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 457.43 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(2-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 57407088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).