4,4,4-trifluoro-3-methyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide

C19H16F6N4O — CID 53372556

IUPAC4,4,4-trifluoro-3-methyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide
SMILESCc1ccc2nc(NC(=O)CC(C)C(F)(F)F)c(-c3cccc(C(F)(F)F)c3)n2n1
InChIInChI=1S/C19H16F6N4O/c1-10(18(20,21)22)8-15(30)27-17-16(29-14(26-17)7-6-11(2)28-29)12-4-3-5-13(9-12)19(23,24)25/h3-7,9-10H,8H2,1-2H3,(H,27,30)
InChIKeyZJKDAXQWPIXURF-UHFFFAOYSA-N
MW430.35 g/mol
LogP5.25
Rot. Bonds4

About 4,4,4-trifluoro-3-methyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide

4,4,4-trifluoro-3-methyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide (PubChem CID 53372556) has the molecular formula C19H16F6N4O and a molecular weight of 430.35 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-methyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-methyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide
PubChem CID53372556
Molecular FormulaC19H16F6N4O
Molecular Weight430.35 g/mol
Exact Mass430.12
IUPAC Name4,4,4-trifluoro-3-methyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide
SMILESCc1ccc2nc(NC(=O)CC(C)C(F)(F)F)c(-c3cccc(C(F)(F)F)c3)n2n1
InChIInChI=1S/C19H16F6N4O/c1-10(18(20,21)22)8-15(30)27-17-16(29-14(26-17)7-6-11(2)28-29)12-4-3-5-13(9-12)19(23,24)25/h3-7,9-10H,8H2,1-2H3,(H,27,30)
InChIKeyZJKDAXQWPIXURF-UHFFFAOYSA-N
XLogP5.25
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.35
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-methyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide?
The IUPAC name of 4,4,4-trifluoro-3-methyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide (CID 53372556) is 4,4,4-trifluoro-3-methyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-methyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-methyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide is Cc1ccc2nc(NC(=O)CC(C)C(F)(F)F)c(-c3cccc(C(F)(F)F)c3)n2n1.
What is the InChIKey of 4,4,4-trifluoro-3-methyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide?
The InChIKey is ZJKDAXQWPIXURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N4O/c1-10(18(20,21)22)8-15(30)27-17-16(29-14(26-17)7-6-11(2)28-29)12-4-3-5-13(9-12)19(23,24)25/h3-7,9-10H,8H2,1-2H3,(H,27,30).
What are the key properties of 4,4,4-trifluoro-3-methyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide?
4,4,4-trifluoro-3-methyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide has a molecular weight of 430.35 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-methyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide is sourced from PubChem (CID 53372556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).