4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide

C25H22F3N5O2 — CID 90456872

IUPAC4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1
InChIInChI=1S/C25H22F3N5O2/c1-16-5-6-17(24(34)30-19-4-2-3-18(14-19)25(26,27)28)13-20(16)21-15-22(32-9-11-35-12-10-32)23-29-7-8-33(23)31-21/h2-8,13-15H,9-12H2,1H3,(H,30,34)
InChIKeyXFHVGKYTPQEBHL-UHFFFAOYSA-N
MW481.48 g/mol
LogP4.81
Rot. Bonds4

About 4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide

4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 90456872) has the molecular formula C25H22F3N5O2 and a molecular weight of 481.48 g/mol. Its IUPAC name is 4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID90456872
Molecular FormulaC25H22F3N5O2
Molecular Weight481.48 g/mol
Exact Mass481.17
IUPAC Name4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1
InChIInChI=1S/C25H22F3N5O2/c1-16-5-6-17(24(34)30-19-4-2-3-18(14-19)25(26,27)28)13-20(16)21-15-22(32-9-11-35-12-10-32)23-29-7-8-33(23)31-21/h2-8,13-15H,9-12H2,1H3,(H,30,34)
InChIKeyXFHVGKYTPQEBHL-UHFFFAOYSA-N
XLogP4.81
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 90456872) is 4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1.
What is the InChIKey of 4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is XFHVGKYTPQEBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2/c1-16-5-6-17(24(34)30-19-4-2-3-18(14-19)25(26,27)28)13-20(16)21-15-22(32-9-11-35-12-10-32)23-29-7-8-33(23)31-21/h2-8,13-15H,9-12H2,1H3,(H,30,34).
What are the key properties of 4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 481.48 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 90456872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).