N-[5-(6-ethylimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide

C20H21F3N4O — CID 162590547

IUPACN-[5-(6-ethylimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCCc1ccc2nc(-c3ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1
InChIInChI=1S/C20H21F3N4O/c1-5-13-7-9-17-24-16(11-27(17)26-13)12-6-8-14(20(21,22)23)15(10-12)25-18(28)19(2,3)4/h6-11H,5H2,1-4H3,(H,25,28)
InChIKeySFEWZWYDYVVJRH-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.96
Rot. Bonds3

About N-[5-(6-ethylimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide

N-[5-(6-ethylimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 162590547) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[5-(6-ethylimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(6-ethylimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
PubChem CID162590547
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC NameN-[5-(6-ethylimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCCc1ccc2nc(-c3ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1
InChIInChI=1S/C20H21F3N4O/c1-5-13-7-9-17-24-16(11-27(17)26-13)12-6-8-14(20(21,22)23)15(10-12)25-18(28)19(2,3)4/h6-11H,5H2,1-4H3,(H,25,28)
InChIKeySFEWZWYDYVVJRH-UHFFFAOYSA-N
XLogP4.96
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-ethylimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(6-ethylimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (CID 162590547) is N-[5-(6-ethylimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(6-ethylimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(6-ethylimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is CCc1ccc2nc(-c3ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1.
What is the InChIKey of N-[5-(6-ethylimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is SFEWZWYDYVVJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c1-5-13-7-9-17-24-16(11-27(17)26-13)12-6-8-14(20(21,22)23)15(10-12)25-18(28)19(2,3)4/h6-11H,5H2,1-4H3,(H,25,28).
What are the key properties of N-[5-(6-ethylimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
N-[5-(6-ethylimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 390.41 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-ethylimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 162590547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).