3,4-difluoro-N-methyl-5-[6-(oxolan-3-yloxy)-7-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzamide

C23H19F2N5O3 — CID 166643762

IUPAC3,4-difluoro-N-methyl-5-[6-(oxolan-3-yloxy)-7-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCNC(=O)c1cc(F)c(F)c(-c2cnc3cc(-c4ccncc4)c(OC4CCOC4)nn23)c1
InChIInChI=1S/C23H19F2N5O3/c1-26-22(31)14-8-17(21(25)18(24)9-14)19-11-28-20-10-16(13-2-5-27-6-3-13)23(29-30(19)20)33-15-4-7-32-12-15/h2-3,5-6,8-11,15H,4,7,12H2,1H3,(H,26,31)
InChIKeyWUTZZYQQRSOWMM-UHFFFAOYSA-N
MW451.43 g/mol
LogP3.26
Rot. Bonds5

About 3,4-difluoro-N-methyl-5-[6-(oxolan-3-yloxy)-7-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzamide

3,4-difluoro-N-methyl-5-[6-(oxolan-3-yloxy)-7-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 166643762) has the molecular formula C23H19F2N5O3 and a molecular weight of 451.43 g/mol. Its IUPAC name is 3,4-difluoro-N-methyl-5-[6-(oxolan-3-yloxy)-7-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-methyl-5-[6-(oxolan-3-yloxy)-7-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID166643762
Molecular FormulaC23H19F2N5O3
Molecular Weight451.43 g/mol
Exact Mass451.15
IUPAC Name3,4-difluoro-N-methyl-5-[6-(oxolan-3-yloxy)-7-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCNC(=O)c1cc(F)c(F)c(-c2cnc3cc(-c4ccncc4)c(OC4CCOC4)nn23)c1
InChIInChI=1S/C23H19F2N5O3/c1-26-22(31)14-8-17(21(25)18(24)9-14)19-11-28-20-10-16(13-2-5-27-6-3-13)23(29-30(19)20)33-15-4-7-32-12-15/h2-3,5-6,8-11,15H,4,7,12H2,1H3,(H,26,31)
InChIKeyWUTZZYQQRSOWMM-UHFFFAOYSA-N
XLogP3.26
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-methyl-5-[6-(oxolan-3-yloxy)-7-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of 3,4-difluoro-N-methyl-5-[6-(oxolan-3-yloxy)-7-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzamide (CID 166643762) is 3,4-difluoro-N-methyl-5-[6-(oxolan-3-yloxy)-7-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-methyl-5-[6-(oxolan-3-yloxy)-7-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for 3,4-difluoro-N-methyl-5-[6-(oxolan-3-yloxy)-7-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzamide is CNC(=O)c1cc(F)c(F)c(-c2cnc3cc(-c4ccncc4)c(OC4CCOC4)nn23)c1.
What is the InChIKey of 3,4-difluoro-N-methyl-5-[6-(oxolan-3-yloxy)-7-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is WUTZZYQQRSOWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O3/c1-26-22(31)14-8-17(21(25)18(24)9-14)19-11-28-20-10-16(13-2-5-27-6-3-13)23(29-30(19)20)33-15-4-7-32-12-15/h2-3,5-6,8-11,15H,4,7,12H2,1H3,(H,26,31).
What are the key properties of 3,4-difluoro-N-methyl-5-[6-(oxolan-3-yloxy)-7-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzamide?
3,4-difluoro-N-methyl-5-[6-(oxolan-3-yloxy)-7-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 451.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-methyl-5-[6-(oxolan-3-yloxy)-7-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 166643762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).