3,3,3-trifluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]propanamide

C19H14F4N6O — CID 118537113

IUPAC3,3,3-trifluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]propanamide
SMILESCn1cc(-c2ccc3nc(NC(=O)CC(F)(F)F)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H14F4N6O/c1-28-9-13(18(27-28)11-2-4-12(20)5-3-11)14-6-7-16-24-15(10-29(16)26-14)25-17(30)8-19(21,22)23/h2-7,9-10H,8H2,1H3,(H,25,30)
InChIKeyHZTSWFIIOGFCSV-UHFFFAOYSA-N
MW418.35 g/mol
LogP3.83
Rot. Bonds4

About 3,3,3-trifluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]propanamide

3,3,3-trifluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]propanamide (PubChem CID 118537113) has the molecular formula C19H14F4N6O and a molecular weight of 418.35 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]propanamide
PubChem CID118537113
Molecular FormulaC19H14F4N6O
Molecular Weight418.35 g/mol
Exact Mass418.12
IUPAC Name3,3,3-trifluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]propanamide
SMILESCn1cc(-c2ccc3nc(NC(=O)CC(F)(F)F)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H14F4N6O/c1-28-9-13(18(27-28)11-2-4-12(20)5-3-11)14-6-7-16-24-15(10-29(16)26-14)25-17(30)8-19(21,22)23/h2-7,9-10H,8H2,1H3,(H,25,30)
InChIKeyHZTSWFIIOGFCSV-UHFFFAOYSA-N
XLogP3.83
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]propanamide (CID 118537113) is 3,3,3-trifluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]propanamide is Cn1cc(-c2ccc3nc(NC(=O)CC(F)(F)F)cn3n2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 3,3,3-trifluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]propanamide?
The InChIKey is HZTSWFIIOGFCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N6O/c1-28-9-13(18(27-28)11-2-4-12(20)5-3-11)14-6-7-16-24-15(10-29(16)26-14)25-17(30)8-19(21,22)23/h2-7,9-10H,8H2,1H3,(H,25,30).
What are the key properties of 3,3,3-trifluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]propanamide?
3,3,3-trifluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]propanamide has a molecular weight of 418.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]propanamide is sourced from PubChem (CID 118537113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).