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

C25H23F3N4O3 — CID 67983160

IUPACN-[5-[6-(2-methoxyphenoxy)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccccc1Oc1ccc2nc(-c3ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1
InChIInChI=1S/C25H23F3N4O3/c1-24(2,3)23(33)30-17-13-15(9-10-16(17)25(26,27)28)18-14-32-21(29-18)11-12-22(31-32)35-20-8-6-5-7-19(20)34-4/h5-14H,1-4H3,(H,30,33)
InChIKeyKPPZYBCJKUMJBI-UHFFFAOYSA-N
MW484.48 g/mol
LogP6.20
Rot. Bonds5

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

N-[5-[6-(2-methoxyphenoxy)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 67983160) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is N-[5-[6-(2-methoxyphenoxy)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[6-(2-methoxyphenoxy)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
PubChem CID67983160
Molecular FormulaC25H23F3N4O3
Molecular Weight484.48 g/mol
Exact Mass484.17
IUPAC NameN-[5-[6-(2-methoxyphenoxy)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccccc1Oc1ccc2nc(-c3ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1
InChIInChI=1S/C25H23F3N4O3/c1-24(2,3)23(33)30-17-13-15(9-10-16(17)25(26,27)28)18-14-32-21(29-18)11-12-22(31-32)35-20-8-6-5-7-19(20)34-4/h5-14H,1-4H3,(H,30,33)
InChIKeyKPPZYBCJKUMJBI-UHFFFAOYSA-N
XLogP6.20
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.48
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(2-methoxyphenoxy)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[6-(2-methoxyphenoxy)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (CID 67983160) is N-[5-[6-(2-methoxyphenoxy)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[6-(2-methoxyphenoxy)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[6-(2-methoxyphenoxy)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is COc1ccccc1Oc1ccc2nc(-c3ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1.
What is the InChIKey of N-[5-[6-(2-methoxyphenoxy)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is KPPZYBCJKUMJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c1-24(2,3)23(33)30-17-13-15(9-10-16(17)25(26,27)28)18-14-32-21(29-18)11-12-22(31-32)35-20-8-6-5-7-19(20)34-4/h5-14H,1-4H3,(H,30,33).
What are the key properties of N-[5-[6-(2-methoxyphenoxy)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
N-[5-[6-(2-methoxyphenoxy)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 484.48 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(2-methoxyphenoxy)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 67983160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).