8-bromo-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-pyridazin-3-ylimidazo[1,2-c]pyrimidin-5-amine;tributyl(pyridazin-3-yl)stannane

C52H55BrF2N14O2Sn — CID 158476879

About 8-bromo-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-pyridazin-3-ylimidazo[1,2-c]pyrimidin-5-amine;tributyl(pyridazin-3-yl)stannane

8-bromo-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-pyridazin-3-ylimidazo[1,2-c]pyrimidin-5-amine;tributyl(pyridazin-3-yl)stannane (PubChem CID 158476879) has the molecular formula C52H55BrF2N14O2Sn and a molecular weight of 1144.72 g/mol. Its IUPAC name is 8-bromo-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-pyridazin-3-ylimidazo[1,2-c]pyrimidin-5-amine;tributyl(pyridazin-3-yl)stannane.

Molecular Properties

• Compound Name: 8-bromo-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-pyridazin-3-ylimidazo[1,2-c]pyrimidin-5-amine;tributyl(pyridazin-3-yl)stannane
• PubChem CID: 158476879
• Molecular Formula: C52H55BrF2N14O2Sn
• Molecular Weight: 1144.72 g/mol
• Exact Mass: 1144.28
• IUPAC Name: 8-bromo-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-pyridazin-3-ylimidazo[1,2-c]pyrimidin-5-amine;tributyl(pyridazin-3-yl)stannane
• SMILES: CCCC[Sn](CCCC)(CCCC)c1cccnn1.[C-]#[N+]c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnn3)c2n1.[C-]#[N+]c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(Br)c2n1
• InChI: InChI=1S/C20H14FN7O.C16H11BrFN5O.C4H3N2.3C4H9.Sn/c1-22-18-11-28-19(26-18)14(16-3-2-7-25-27-16)10-24-20(28)23-9-13-12-6-8-29-17(12)5-4-15(13)21;1-19-14-8-23-15(22-14)11(17)7-21-16(23)20-6-10-9-4-5-24-13(9)3-2-12(10)18;1-2-4-6-5-3-1;3*1-3-4-2;/h2-5,7,10-11H,6,8-9H2,(H,23,24);2-3,7-8H,4-6H2,(H,20,21);1-3H;3*1,3-4H2,2H3
• InChIKey: HHAYHHYDFFEENH-UHFFFAOYSA-N
• XLogP: 11.68
• TPSA: 163.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1144.72
LogP ≤ 5	11.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-pyridazin-3-ylimidazo[1,2-c]pyrimidin-5-amine;tributyl(pyridazin-3-yl)stannane?

The IUPAC name of 8-bromo-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-pyridazin-3-ylimidazo[1,2-c]pyrimidin-5-amine;tributyl(pyridazin-3-yl)stannane (CID 158476879) is 8-bromo-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-pyridazin-3-ylimidazo[1,2-c]pyrimidin-5-amine;tributyl(pyridazin-3-yl)stannane.

What is the SMILES notation for 8-bromo-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-pyridazin-3-ylimidazo[1,2-c]pyrimidin-5-amine;tributyl(pyridazin-3-yl)stannane?

The canonical SMILES for 8-bromo-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-pyridazin-3-ylimidazo[1,2-c]pyrimidin-5-amine;tributyl(pyridazin-3-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cccnn1.[C-]#[N+]c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnn3)c2n1.[C-]#[N+]c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(Br)c2n1.

What is the InChIKey of 8-bromo-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-pyridazin-3-ylimidazo[1,2-c]pyrimidin-5-amine;tributyl(pyridazin-3-yl)stannane?

The InChIKey is HHAYHHYDFFEENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN7O.C16H11BrFN5O.C4H3N2.3C4H9.Sn/c1-22-18-11-28-19(26-18)14(16-3-2-7-25-27-16)10-24-20(28)23-9-13-12-6-8-29-17(12)5-4-15(13)21;1-19-14-8-23-15(22-14)11(17)7-21-16(23)20-6-10-9-4-5-24-13(9)3-2-12(10)18;1-2-4-6-5-3-1;3*1-3-4-2;/h2-5,7,10-11H,6,8-9H2,(H,23,24);2-3,7-8H,4-6H2,(H,20,21);1-3H;3*1,3-4H2,2H3;.

What are the key properties of 8-bromo-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-pyridazin-3-ylimidazo[1,2-c]pyrimidin-5-amine;tributyl(pyridazin-3-yl)stannane?

8-bromo-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-pyridazin-3-ylimidazo[1,2-c]pyrimidin-5-amine;tributyl(pyridazin-3-yl)stannane has a molecular weight of 1144.72 g/mol, XLogP of 11.68, 17 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-pyridazin-3-ylimidazo[1,2-c]pyrimidin-5-amine;tributyl(pyridazin-3-yl)stannane is sourced from PubChem (CID 158476879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).