8-(2,3-dihydro-1H-isoindol-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-3-methyl-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-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidin-5-amine

C77H73F3N16O5 — CID 157132938

About 8-(2,3-dihydro-1H-isoindol-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-3-methyl-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-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidin-5-amine

8-(2,3-dihydro-1H-isoindol-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-3-methyl-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-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 157132938) has the molecular formula C77H73F3N16O5 and a molecular weight of 1359.53 g/mol. Its IUPAC name is 8-(2,3-dihydro-1H-isoindol-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-3-methyl-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-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 8-(2,3-dihydro-1H-isoindol-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-3-methyl-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-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidin-5-amine
• PubChem CID: 157132938
• Molecular Formula: C77H73F3N16O5
• Molecular Weight: 1359.53 g/mol
• Exact Mass: 1358.59
• IUPAC Name: 8-(2,3-dihydro-1H-isoindol-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-3-methyl-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-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidin-5-amine
• SMILES: Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc4c(c3)CNC4)c2n1.[C-]#[N+]c1cn2c(NCc3c(F)ccc4c3C(C)CO4)ncc(-c3ccc(CN(C)C)cc3C)c2n1.[C-]#[N+]c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(OCCOC)cc3C)c2n1
• InChI: InChI=1S/C27H27FN6O.C26H24FN5O3.C24H22FN5O/c1-16-10-18(13-33(4)5)6-7-19(16)20-11-30-27(34-14-24(29-3)32-26(20)34)31-12-21-22(28)8-9-23-25(21)17(2)15-35-23;1-16-12-17(34-11-10-33-3)4-5-18(16)21-14-30-26(32-15-24(28-2)31-25(21)32)29-13-20-19-8-9-35-23(19)7-6-22(20)27;1-14-13-30-23(29-14)19(15-2-3-16-9-26-10-17(16)8-15)11-27-24(30)28-12-20-18-6-7-31-22(18)5-4-21(20)25/h6-11,14,17H,12-13,15H2,1-2,4-5H3,(H,30,31);4-7,12,14-15H,8-11,13H2,1,3H3,(H,29,30);2-5,8,11,13,26H,6-7,9-10,12H2,1H3,(H,27,28)
• InChIKey: AJHAWMGYSLQEIV-UHFFFAOYSA-N
• XLogP: 14.53
• TPSA: 196.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1359.53
LogP ≤ 5	14.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1H-isoindol-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-3-methyl-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-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidin-5-amine?

The IUPAC name of 8-(2,3-dihydro-1H-isoindol-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-3-methyl-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-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidin-5-amine (CID 157132938) is 8-(2,3-dihydro-1H-isoindol-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-3-methyl-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-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidin-5-amine.

What is the SMILES notation for 8-(2,3-dihydro-1H-isoindol-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-3-methyl-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-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidin-5-amine?

The canonical SMILES for 8-(2,3-dihydro-1H-isoindol-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-3-methyl-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-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidin-5-amine is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc4c(c3)CNC4)c2n1.[C-]#[N+]c1cn2c(NCc3c(F)ccc4c3C(C)CO4)ncc(-c3ccc(CN(C)C)cc3C)c2n1.[C-]#[N+]c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(OCCOC)cc3C)c2n1.

What is the InChIKey of 8-(2,3-dihydro-1H-isoindol-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-3-methyl-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-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidin-5-amine?

The InChIKey is AJHAWMGYSLQEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O.C26H24FN5O3.C24H22FN5O/c1-16-10-18(13-33(4)5)6-7-19(16)20-11-30-27(34-14-24(29-3)32-26(20)34)31-12-21-22(28)8-9-23-25(21)17(2)15-35-23;1-16-12-17(34-11-10-33-3)4-5-18(16)21-14-30-26(32-15-24(28-2)31-25(21)32)29-13-20-19-8-9-35-23(19)7-6-22(20)27;1-14-13-30-23(29-14)19(15-2-3-16-9-26-10-17(16)8-15)11-27-24(30)28-12-20-18-6-7-31-22(18)5-4-21(20)25/h6-11,14,17H,12-13,15H2,1-2,4-5H3,(H,30,31);4-7,12,14-15H,8-11,13H2,1,3H3,(H,29,30);2-5,8,11,13,26H,6-7,9-10,12H2,1H3,(H,27,28).

What are the key properties of 8-(2,3-dihydro-1H-isoindol-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-3-methyl-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-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidin-5-amine?

8-(2,3-dihydro-1H-isoindol-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-3-methyl-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-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1359.53 g/mol, XLogP of 14.53, 18 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,3-dihydro-1H-isoindol-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-3-methyl-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-[4-(2-methoxyethoxy)-2-methylphenyl]imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 157132938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).