8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine

C71H69F3N24O4 — CID 157296728

About 8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine

8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 157296728) has the molecular formula C71H69F3N24O4 and a molecular weight of 1379.49 g/mol. Its IUPAC name is 8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine
• PubChem CID: 157296728
• Molecular Formula: C71H69F3N24O4
• Molecular Weight: 1379.49 g/mol
• Exact Mass: 1378.59
• IUPAC Name: 8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine
• SMILES: [C-]#[N+]c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C(=O)N4CCN(C)CC4)nn3C)c2n1.[C-]#[N+]c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccnn3CCC)c2n1.[C-]#[N+]c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccnn3CCN(C)C)c2n1
• InChI: InChI=1S/C26H26FN9O2.C23H23FN8O.C22H20FN7O/c1-28-23-15-36-24(31-23)18(21-12-20(32-34(21)3)25(37)35-9-7-33(2)8-10-35)14-30-26(36)29-13-17-16-6-11-38-22(16)5-4-19(17)27;1-25-21-14-31-22(29-21)17(19-6-8-28-32(19)10-9-30(2)3)13-27-23(31)26-12-16-15-7-11-33-20(15)5-4-18(16)24;1-3-9-30-18(6-8-27-30)16-12-26-22(29-13-20(24-2)28-21(16)29)25-11-15-14-7-10-31-19(14)5-4-17(15)23/h4-5,12,14-15H,6-11,13H2,2-3H3,(H,29,30);4-6,8,13-14H,7,9-12H2,2-3H3,(H,26,27);4-6,8,12-13H,3,7,9-11H2,1H3,(H,25,26)
• InChIKey: BBKXXWHTWYLLCO-UHFFFAOYSA-N
• XLogP: 10.39
• TPSA: 247.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1379.49
LogP ≤ 5	10.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine?

The IUPAC name of 8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine (CID 157296728) is 8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine.

What is the SMILES notation for 8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine?

The canonical SMILES for 8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine is [C-]#[N+]c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C(=O)N4CCN(C)CC4)nn3C)c2n1.[C-]#[N+]c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccnn3CCC)c2n1.[C-]#[N+]c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccnn3CCN(C)C)c2n1.

What is the InChIKey of 8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine?

The InChIKey is BBKXXWHTWYLLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN9O2.C23H23FN8O.C22H20FN7O/c1-28-23-15-36-24(31-23)18(21-12-20(32-34(21)3)25(37)35-9-7-33(2)8-10-35)14-30-26(36)29-13-17-16-6-11-38-22(16)5-4-19(17)27;1-25-21-14-31-22(29-21)17(19-6-8-28-32(19)10-9-30(2)3)13-27-23(31)26-12-16-15-7-11-33-20(15)5-4-18(16)24;1-3-9-30-18(6-8-27-30)16-12-26-22(29-13-20(24-2)28-21(16)29)25-11-15-14-7-10-31-19(14)5-4-17(15)23/h4-5,12,14-15H,6-11,13H2,2-3H3,(H,29,30);4-6,8,13-14H,7,9-12H2,2-3H3,(H,26,27);4-6,8,12-13H,3,7,9-11H2,1H3,(H,25,26).

What are the key properties of 8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine?

8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1379.49 g/mol, XLogP of 10.39, 18 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 157296728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).