N-[dideuterio-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(dimethylamino)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;methyl 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoate;methyl 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate

C72H67F3N14O7 — CID 157165481

About N-[dideuterio-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(dimethylamino)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;methyl 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoate;methyl 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate

N-[dideuterio-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(dimethylamino)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;methyl 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoate;methyl 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate (PubChem CID 157165481) has the molecular formula C72H67F3N14O7 and a molecular weight of 1299.43 g/mol. Its IUPAC name is N-[dideuterio-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(dimethylamino)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;methyl 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoate;methyl 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: N-[dideuterio-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(dimethylamino)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;methyl 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoate;methyl 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate
• PubChem CID: 157165481
• Molecular Formula: C72H67F3N14O7
• Molecular Weight: 1299.43 g/mol
• Exact Mass: 1298.54
• IUPAC Name: N-[dideuterio-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(dimethylamino)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;methyl 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoate;methyl 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate
• SMILES: COC(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cc1.COC(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cn1.[2H]C([2H])(Nc1ncc(-c2ccc(CN(C)C)cc2)c2nc(C)cn12)c1c(F)ccc2c1CCO2
• InChI: InChI=1S/C25H26FN5O.C24H21FN4O3.C23H20FN5O3/c1-16-14-31-24(29-16)20(18-6-4-17(5-7-18)15-30(2)3)12-27-25(31)28-13-21-19-10-11-32-23(19)9-8-22(21)26;1-14-13-29-22(28-14)18(15-3-5-16(6-4-15)23(30)31-2)11-26-24(29)27-12-19-17-9-10-32-21(17)8-7-20(19)25;1-13-12-29-21(28-13)16(14-3-5-19(25-9-14)22(30)31-2)10-26-23(29)27-11-17-15-7-8-32-20(15)6-4-18(17)24/h4-9,12,14H,10-11,13,15H2,1-3H3,(H,27,28);3-8,11,13H,9-10,12H2,1-2H3,(H,26,27);3-6,9-10,12H,7-8,11H2,1-2H3,(H,26,27)/i13D2
• InChIKey: AMWAAZMEVAHNIG-DKGKLUEFSA-N
• XLogP: 12.20
• TPSA: 223.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1299.43
LogP ≤ 5	12.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[dideuterio-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(dimethylamino)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;methyl 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoate;methyl 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate?

The IUPAC name of N-[dideuterio-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(dimethylamino)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;methyl 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoate;methyl 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate (CID 157165481) is N-[dideuterio-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(dimethylamino)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;methyl 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoate;methyl 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate.

What is the SMILES notation for N-[dideuterio-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(dimethylamino)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;methyl 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoate;methyl 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate?

The canonical SMILES for N-[dideuterio-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(dimethylamino)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;methyl 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoate;methyl 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate is COC(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cc1.COC(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cn1.[2H]C([2H])(Nc1ncc(-c2ccc(CN(C)C)cc2)c2nc(C)cn12)c1c(F)ccc2c1CCO2.

What is the InChIKey of N-[dideuterio-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(dimethylamino)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;methyl 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoate;methyl 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate?

The InChIKey is AMWAAZMEVAHNIG-DKGKLUEFSA-N. The full InChI is InChI=1S/C25H26FN5O.C24H21FN4O3.C23H20FN5O3/c1-16-14-31-24(29-16)20(18-6-4-17(5-7-18)15-30(2)3)12-27-25(31)28-13-21-19-10-11-32-23(19)9-8-22(21)26;1-14-13-29-22(28-14)18(15-3-5-16(6-4-15)23(30)31-2)11-26-24(29)27-12-19-17-9-10-32-21(17)8-7-20(19)25;1-13-12-29-21(28-13)16(14-3-5-19(25-9-14)22(30)31-2)10-26-23(29)27-11-17-15-7-8-32-20(15)6-4-18(17)24/h4-9,12,14H,10-11,13,15H2,1-3H3,(H,27,28);3-8,11,13H,9-10,12H2,1-2H3,(H,26,27);3-6,9-10,12H,7-8,11H2,1-2H3,(H,26,27)/i13D2;;.

What are the key properties of N-[dideuterio-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(dimethylamino)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;methyl 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoate;methyl 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate?

N-[dideuterio-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(dimethylamino)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;methyl 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoate;methyl 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate has a molecular weight of 1299.43 g/mol, XLogP of 12.20, 16 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[dideuterio-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(dimethylamino)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;methyl 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoate;methyl 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate is sourced from PubChem (CID 157165481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).