8-cyclohexyl-2-ethynyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine

C71H72F3N17O4 — CID 158809218

About 8-cyclohexyl-2-ethynyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine

8-cyclohexyl-2-ethynyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 158809218) has the molecular formula C71H72F3N17O4 and a molecular weight of 1284.47 g/mol. Its IUPAC name is 8-cyclohexyl-2-ethynyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 8-cyclohexyl-2-ethynyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine
• PubChem CID: 158809218
• Molecular Formula: C71H72F3N17O4
• Molecular Weight: 1284.47 g/mol
• Exact Mass: 1283.59
• IUPAC Name: 8-cyclohexyl-2-ethynyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine
• SMILES: C#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(C3CCCCC3)c2n1.CC(=O)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N4CCN(C)CC4)nc3C)c2n1.Cc1cn(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cn1
• InChI: InChI=1S/C28H30FN7O2.C23H23FN4O.C20H19FN6O/c1-17-19(4-7-26(32-17)35-11-9-34(3)10-12-35)22-15-31-28(36-16-24(18(2)37)33-27(22)36)30-14-21-20-8-13-38-25(20)6-5-23(21)29;1-2-16-14-28-22(27-16)18(15-6-4-3-5-7-15)12-25-23(28)26-13-19-17-10-11-29-21(17)9-8-20(19)24;1-12-9-26(11-24-12)17-8-23-20(27-10-13(2)25-19(17)27)22-7-15-14-5-6-28-18(14)4-3-16(15)21/h4-7,15-16H,8-14H2,1-3H3,(H,30,31);1,8-9,12,14-15H,3-7,10-11,13H2,(H,25,26);3-4,8-11H,5-7H2,1-2H3,(H,22,23)
• InChIKey: IULSFVJJJTVASU-UHFFFAOYSA-N
• XLogP: 11.40
• TPSA: 208.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1284.47
LogP ≤ 5	11.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-2-ethynyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine?

The IUPAC name of 8-cyclohexyl-2-ethynyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine (CID 158809218) is 8-cyclohexyl-2-ethynyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine.

What is the SMILES notation for 8-cyclohexyl-2-ethynyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine?

The canonical SMILES for 8-cyclohexyl-2-ethynyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine is C#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(C3CCCCC3)c2n1.CC(=O)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N4CCN(C)CC4)nc3C)c2n1.Cc1cn(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cn1.

What is the InChIKey of 8-cyclohexyl-2-ethynyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine?

The InChIKey is IULSFVJJJTVASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN7O2.C23H23FN4O.C20H19FN6O/c1-17-19(4-7-26(32-17)35-11-9-34(3)10-12-35)22-15-31-28(36-16-24(18(2)37)33-27(22)36)30-14-21-20-8-13-38-25(20)6-5-23(21)29;1-2-16-14-28-22(27-16)18(15-6-4-3-5-7-15)12-25-23(28)26-13-19-17-10-11-29-21(17)9-8-20(19)24;1-12-9-26(11-24-12)17-8-23-20(27-10-13(2)25-19(17)27)22-7-15-14-5-6-28-18(14)4-3-16(15)21/h4-7,15-16H,8-14H2,1-3H3,(H,30,31);1,8-9,12,14-15H,3-7,10-11,13H2,(H,25,26);3-4,8-11H,5-7H2,1-2H3,(H,22,23).

What are the key properties of 8-cyclohexyl-2-ethynyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine?

8-cyclohexyl-2-ethynyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1284.47 g/mol, XLogP of 11.40, 14 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclohexyl-2-ethynyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 158809218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).