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

C20H14F2N4O2 — CID 16824927

IUPAC3,4-difluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
SMILESCOc1ccc2nc(-c3ccc(NC(=O)c4ccc(F)c(F)c4)cc3)cn2n1
InChIInChI=1S/C20H14F2N4O2/c1-28-19-9-8-18-24-17(11-26(18)25-19)12-2-5-14(6-3-12)23-20(27)13-4-7-15(21)16(22)10-13/h2-11H,1H3,(H,23,27)
InChIKeyANQMZOCWILEKGH-UHFFFAOYSA-N
MW380.35 g/mol
LogP3.94
Rot. Bonds4

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

3,4-difluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide (PubChem CID 16824927) has the molecular formula C20H14F2N4O2 and a molecular weight of 380.35 g/mol. Its IUPAC name is 3,4-difluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
PubChem CID16824927
Molecular FormulaC20H14F2N4O2
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC Name3,4-difluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
SMILESCOc1ccc2nc(-c3ccc(NC(=O)c4ccc(F)c(F)c4)cc3)cn2n1
InChIInChI=1S/C20H14F2N4O2/c1-28-19-9-8-18-24-17(11-26(18)25-19)12-2-5-14(6-3-12)23-20(27)13-4-7-15(21)16(22)10-13/h2-11H,1H3,(H,23,27)
InChIKeyANQMZOCWILEKGH-UHFFFAOYSA-N
XLogP3.94
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 53.94
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-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide (CID 16824927) is 3,4-difluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide is COc1ccc2nc(-c3ccc(NC(=O)c4ccc(F)c(F)c4)cc3)cn2n1.
What is the InChIKey of 3,4-difluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The InChIKey is ANQMZOCWILEKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2/c1-28-19-9-8-18-24-17(11-26(18)25-19)12-2-5-14(6-3-12)23-20(27)13-4-7-15(21)16(22)10-13/h2-11H,1H3,(H,23,27).
What are the key properties of 3,4-difluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
3,4-difluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide has a molecular weight of 380.35 g/mol, XLogP of 3.94, 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-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide is sourced from PubChem (CID 16824927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).