[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone

C25H23FN8O3 — CID 155788087

About [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone

[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 155788087) has the molecular formula C25H23FN8O3 and a molecular weight of 502.51 g/mol. Its IUPAC name is [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone
• PubChem CID: 155788087
• Molecular Formula: C25H23FN8O3
• Molecular Weight: 502.51 g/mol
• Exact Mass: 502.19
• IUPAC Name: [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone
• SMILES: [C-]#[N+]c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C(=O)N4CCOCC4)nn3C)c2n1
• InChI: InChI=1S/C25H23FN8O3/c1-27-22-14-34-23(30-22)17(20-11-19(31-32(20)2)24(35)33-6-9-36-10-7-33)13-29-25(34)28-12-16-15-5-8-37-21(15)4-3-18(16)26/h3-4,11,13-14H,5-10,12H2,2H3,(H,28,29)
• InChIKey: WJUFDKLXVOWKPY-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 103.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.51
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone?

The IUPAC name of [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone (CID 155788087) is [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone.

What is the SMILES notation for [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone?

The canonical SMILES for [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone is [C-]#[N+]c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C(=O)N4CCOCC4)nn3C)c2n1.

What is the InChIKey of [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone?

The InChIKey is WJUFDKLXVOWKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN8O3/c1-27-22-14-34-23(30-22)17(20-11-19(31-32(20)2)24(35)33-6-9-36-10-7-33)13-29-25(34)28-12-16-15-5-8-37-21(15)4-3-18(16)26/h3-4,11,13-14H,5-10,12H2,2H3,(H,28,29).

What are the key properties of [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone?

[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 502.51 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 155788087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).