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

C23H21F3N6O — CID 67983750

IUPACN-[5-[6-(2-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(-c2cn3nc(-c4cccnc4N)ccc3n2)ccc1C(F)(F)F
InChIInChI=1S/C23H21F3N6O/c1-22(2,3)21(33)30-17-11-13(6-7-15(17)23(24,25)26)18-12-32-19(29-18)9-8-16(31-32)14-5-4-10-28-20(14)27/h4-12H,1-3H3,(H2,27,28)(H,30,33)
InChIKeyGPXSRCMPTPDCAF-UHFFFAOYSA-N
MW454.46 g/mol
LogP5.04
Rot. Bonds3

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

N-[5-[6-(2-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 67983750) has the molecular formula C23H21F3N6O and a molecular weight of 454.46 g/mol. Its IUPAC name is N-[5-[6-(2-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[6-(2-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
PubChem CID67983750
Molecular FormulaC23H21F3N6O
Molecular Weight454.46 g/mol
Exact Mass454.17
IUPAC NameN-[5-[6-(2-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(-c2cn3nc(-c4cccnc4N)ccc3n2)ccc1C(F)(F)F
InChIInChI=1S/C23H21F3N6O/c1-22(2,3)21(33)30-17-11-13(6-7-15(17)23(24,25)26)18-12-32-19(29-18)9-8-16(31-32)14-5-4-10-28-20(14)27/h4-12H,1-3H3,(H2,27,28)(H,30,33)
InChIKeyGPXSRCMPTPDCAF-UHFFFAOYSA-N
XLogP5.04
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.46
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(2-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[6-(2-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (CID 67983750) is N-[5-[6-(2-amino-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-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[6-(2-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(-c2cn3nc(-c4cccnc4N)ccc3n2)ccc1C(F)(F)F.
What is the InChIKey of N-[5-[6-(2-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is GPXSRCMPTPDCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O/c1-22(2,3)21(33)30-17-11-13(6-7-15(17)23(24,25)26)18-12-32-19(29-18)9-8-16(31-32)14-5-4-10-28-20(14)27/h4-12H,1-3H3,(H2,27,28)(H,30,33).
What are the key properties of N-[5-[6-(2-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
N-[5-[6-(2-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 454.46 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(2-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 67983750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).