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

C20H13F3N4O2 — CID 16886165

IUPAC2,6-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
SMILESCOc1ccc2nc(-c3ccc(F)c(NC(=O)c4c(F)cccc4F)c3)cn2n1
InChIInChI=1S/C20H13F3N4O2/c1-29-18-8-7-17-24-16(10-27(17)26-18)11-5-6-12(21)15(9-11)25-20(28)19-13(22)3-2-4-14(19)23/h2-10H,1H3,(H,25,28)
InChIKeyBTNSGSLVMSRGJZ-UHFFFAOYSA-N
MW398.34 g/mol
LogP4.07
Rot. Bonds4

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

2,6-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide (PubChem CID 16886165) has the molecular formula C20H13F3N4O2 and a molecular weight of 398.34 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
PubChem CID16886165
Molecular FormulaC20H13F3N4O2
Molecular Weight398.34 g/mol
Exact Mass398.10
IUPAC Name2,6-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
SMILESCOc1ccc2nc(-c3ccc(F)c(NC(=O)c4c(F)cccc4F)c3)cn2n1
InChIInChI=1S/C20H13F3N4O2/c1-29-18-8-7-17-24-16(10-27(17)26-18)11-5-6-12(21)15(9-11)25-20(28)19-13(22)3-2-4-14(19)23/h2-10H,1H3,(H,25,28)
InChIKeyBTNSGSLVMSRGJZ-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 2,6-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide (CID 16886165) is 2,6-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide is COc1ccc2nc(-c3ccc(F)c(NC(=O)c4c(F)cccc4F)c3)cn2n1.
What is the InChIKey of 2,6-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The InChIKey is BTNSGSLVMSRGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O2/c1-29-18-8-7-17-24-16(10-27(17)26-18)11-5-6-12(21)15(9-11)25-20(28)19-13(22)3-2-4-14(19)23/h2-10H,1H3,(H,25,28).
What are the key properties of 2,6-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
2,6-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 2,6-difluoro-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide is sourced from PubChem (CID 16886165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).