N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-isocyano-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine

C88H77F4N21O6 — CID 161080494

About N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-isocyano-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-isocyano-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 161080494) has the molecular formula C88H77F4N21O6 and a molecular weight of 1600.72 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-isocyano-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-isocyano-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine
• PubChem CID: 161080494
• Molecular Formula: C88H77F4N21O6
• Molecular Weight: 1600.72 g/mol
• Exact Mass: 1599.63
• IUPAC Name: N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-isocyano-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine
• SMILES: COc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cn1.COc1cncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)c1.Cc1cncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)c1.[C-]#[N+]c1cncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)c1
• InChI: InChI=1S/C22H17FN6O.2C22H20FN5O2.C22H20FN5O/c1-13-12-29-21(28-13)17(14-7-15(24-2)9-25-8-14)10-26-22(29)27-11-18-16-5-6-30-20(16)4-3-19(18)23;1-13-12-28-21(27-13)16(14-3-6-20(29-2)24-9-14)10-25-22(28)26-11-17-15-7-8-30-19(15)5-4-18(17)23;1-13-12-28-21(27-13)17(14-7-15(29-2)9-24-8-14)10-25-22(28)26-11-18-16-5-6-30-20(16)4-3-19(18)23;1-13-7-15(9-24-8-13)17-10-25-22(28-12-14(2)27-21(17)28)26-11-18-16-5-6-29-20(16)4-3-19(18)23/h3-4,7-10,12H,5-6,11H2,1H3,(H,26,27);3-6,9-10,12H,7-8,11H2,1-2H3,(H,25,26);3-4,7-10,12H,5-6,11H2,1-2H3,(H,25,26);3-4,7-10,12H,5-6,11H2,1-2H3,(H,25,26)
• InChIKey: UFVRUASVJGPUCV-UHFFFAOYSA-N
• XLogP: 16.02
• TPSA: 280.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1600.72
LogP ≤ 5	16.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-isocyano-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine?

The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-isocyano-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine (CID 161080494) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-isocyano-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine.

What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-isocyano-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine?

The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-isocyano-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine is COc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cn1.COc1cncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)c1.Cc1cncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)c1.[C-]#[N+]c1cncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)c1.

What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-isocyano-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine?

The InChIKey is UFVRUASVJGPUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O.2C22H20FN5O2.C22H20FN5O/c1-13-12-29-21(28-13)17(14-7-15(24-2)9-25-8-14)10-26-22(29)27-11-18-16-5-6-30-20(16)4-3-19(18)23;1-13-12-28-21(27-13)16(14-3-6-20(29-2)24-9-14)10-25-22(28)26-11-17-15-7-8-30-19(15)5-4-18(17)23;1-13-12-28-21(27-13)17(14-7-15(29-2)9-24-8-14)10-25-22(28)26-11-18-16-5-6-30-20(16)4-3-19(18)23;1-13-7-15(9-24-8-13)17-10-25-22(28-12-14(2)27-21(17)28)26-11-18-16-5-6-29-20(16)4-3-19(18)23/h3-4,7-10,12H,5-6,11H2,1H3,(H,26,27);3-6,9-10,12H,7-8,11H2,1-2H3,(H,25,26);3-4,7-10,12H,5-6,11H2,1-2H3,(H,25,26);3-4,7-10,12H,5-6,11H2,1-2H3,(H,25,26).

What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-isocyano-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine?

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-isocyano-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1600.72 g/mol, XLogP of 16.02, 18 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-isocyano-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(5-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methoxy-3-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 161080494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).