3,4-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide

C20H13F3N4O2 — CID 16824955

IUPAC3,4-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
SMILESCOc1ccc2nc(-c3ccc(F)c(NC(=O)c4ccc(F)c(F)c4)c3)cn2n1
InChIInChI=1S/C20H13F3N4O2/c1-29-19-7-6-18-24-17(10-27(18)26-19)11-2-5-14(22)16(9-11)25-20(28)12-3-4-13(21)15(23)8-12/h2-10H,1H3,(H,25,28)
InChIKeyFQLMZVGGKMXWRO-UHFFFAOYSA-N
MW398.34 g/mol
LogP4.07
Rot. Bonds4

About 3,4-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide

3,4-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide (PubChem CID 16824955) has the molecular formula C20H13F3N4O2 and a molecular weight of 398.34 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
PubChem CID16824955
Molecular FormulaC20H13F3N4O2
Molecular Weight398.34 g/mol
Exact Mass398.10
IUPAC Name3,4-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
SMILESCOc1ccc2nc(-c3ccc(F)c(NC(=O)c4ccc(F)c(F)c4)c3)cn2n1
InChIInChI=1S/C20H13F3N4O2/c1-29-19-7-6-18-24-17(10-27(18)26-19)11-2-5-14(22)16(9-11)25-20(28)12-3-4-13(21)15(23)8-12/h2-10H,1H3,(H,25,28)
InChIKeyFQLMZVGGKMXWRO-UHFFFAOYSA-N
XLogP4.07
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide (CID 16824955) is 3,4-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide is COc1ccc2nc(-c3ccc(F)c(NC(=O)c4ccc(F)c(F)c4)c3)cn2n1.
What is the InChIKey of 3,4-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The InChIKey is FQLMZVGGKMXWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O2/c1-29-19-7-6-18-24-17(10-27(18)26-19)11-2-5-14(22)16(9-11)25-20(28)12-3-4-13(21)15(23)8-12/h2-10H,1H3,(H,25,28).
What are the key properties of 3,4-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
3,4-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide has a molecular weight of 398.34 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide is sourced from PubChem (CID 16824955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).