8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylpyridazin-3-one

C65H54F5N17O5 — CID 161432967

About 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylpyridazin-3-one

8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylpyridazin-3-one (PubChem CID 161432967) has the molecular formula C65H54F5N17O5 and a molecular weight of 1248.25 g/mol. Its IUPAC name is 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylpyridazin-3-one.

Molecular Properties

• Compound Name: 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylpyridazin-3-one
• PubChem CID: 161432967
• Molecular Formula: C65H54F5N17O5
• Molecular Weight: 1248.25 g/mol
• Exact Mass: 1247.44
• IUPAC Name: 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylpyridazin-3-one
• SMILES: Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3C(F)F)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccnn(C)c3=O)c2n1.[C-]#[N+]c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3CO)c2n1
• InChI: InChI=1S/C22H18F3N5O.C22H17FN6O2.C21H19FN6O2/c1-12-11-30-21(29-12)16(14-3-2-7-26-19(14)20(24)25)10-28-22(30)27-9-15-13-6-8-31-18(13)5-4-17(15)23;1-24-20-11-29-21(28-20)16(13-3-2-7-25-18(13)12-30)10-27-22(29)26-9-15-14-6-8-31-19(14)5-4-17(15)23;1-12-11-28-19(26-12)16(14-5-7-25-27(2)20(14)29)10-24-21(28)23-9-15-13-6-8-30-18(13)4-3-17(15)22/h2-5,7,10-11,20H,6,8-9H2,1H3,(H,27,28);2-5,7,10-11,30H,6,8-9,12H2,(H,26,27);3-5,7,10-11H,6,8-9H2,1-2H3,(H,23,24)
• InChIKey: VYGNREUUSKYPSD-UHFFFAOYSA-N
• XLogP: 10.73
• TPSA: 239.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1248.25
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylpyridazin-3-one?

The IUPAC name of 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylpyridazin-3-one (CID 161432967) is 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylpyridazin-3-one.

What is the SMILES notation for 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylpyridazin-3-one?

The canonical SMILES for 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylpyridazin-3-one is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3C(F)F)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccnn(C)c3=O)c2n1.[C-]#[N+]c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3CO)c2n1.

What is the InChIKey of 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylpyridazin-3-one?

The InChIKey is VYGNREUUSKYPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O.C22H17FN6O2.C21H19FN6O2/c1-12-11-30-21(29-12)16(14-3-2-7-26-19(14)20(24)25)10-28-22(30)27-9-15-13-6-8-31-18(13)5-4-17(15)23;1-24-20-11-29-21(28-20)16(13-3-2-7-25-18(13)12-30)10-27-22(29)26-9-15-14-6-8-31-19(14)5-4-17(15)23;1-12-11-28-19(26-12)16(14-5-7-25-27(2)20(14)29)10-24-21(28)23-9-15-13-6-8-30-18(13)4-3-17(15)22/h2-5,7,10-11,20H,6,8-9H2,1H3,(H,27,28);2-5,7,10-11,30H,6,8-9,12H2,(H,26,27);3-5,7,10-11H,6,8-9H2,1-2H3,(H,23,24).

What are the key properties of 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylpyridazin-3-one?

8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylpyridazin-3-one has a molecular weight of 1248.25 g/mol, XLogP of 10.73, 14 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 161432967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).