4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,3-trimethylbenzenesulfonamide

C74H72F3N15O8S2 — CID 159582277

About 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,3-trimethylbenzenesulfonamide

4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,3-trimethylbenzenesulfonamide (PubChem CID 159582277) has the molecular formula C74H72F3N15O8S2 and a molecular weight of 1420.61 g/mol. Its IUPAC name is 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,3-trimethylbenzenesulfonamide.

Molecular Properties

• Compound Name: 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,3-trimethylbenzenesulfonamide
• PubChem CID: 159582277
• Molecular Formula: C74H72F3N15O8S2
• Molecular Weight: 1420.61 g/mol
• Exact Mass: 1419.51
• IUPAC Name: 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,3-trimethylbenzenesulfonamide
• SMILES: Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCCC4=O)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(=O)(=O)N(C)C)cc3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(N)(=O)=O)cc3)c2n1
• InChI: InChI=1S/C27H26FN5O2.C25H26FN5O3S.C22H20FN5O3S/c1-17-15-33-26(31-17)21(19-6-4-18(5-7-19)16-32-11-2-3-25(32)34)13-29-27(33)30-14-22-20-10-12-35-24(20)9-8-23(22)28;1-15-11-17(35(32,33)30(3)4)5-6-18(15)21-13-28-25(31-14-16(2)29-24(21)31)27-12-20-19-9-10-34-23(19)8-7-22(20)26;1-13-12-28-21(27-13)17(14-2-4-15(5-3-14)32(24,29)30)10-25-22(28)26-11-18-16-8-9-31-20(16)7-6-19(18)23/h4-9,13,15H,2-3,10-12,14,16H2,1H3,(H,29,30);5-8,11,13-14H,9-10,12H2,1-4H3,(H,27,28);2-7,10,12H,8-9,11H2,1H3,(H,25,26)(H2,24,29,30)
• InChIKey: MJECUJWXUGNSJL-UHFFFAOYSA-N
• XLogP: 11.50
• TPSA: 272.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1420.61
LogP ≤ 5	11.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,3-trimethylbenzenesulfonamide?

The IUPAC name of 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,3-trimethylbenzenesulfonamide (CID 159582277) is 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,3-trimethylbenzenesulfonamide.

What is the SMILES notation for 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,3-trimethylbenzenesulfonamide?

The canonical SMILES for 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,3-trimethylbenzenesulfonamide is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCCC4=O)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(=O)(=O)N(C)C)cc3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(N)(=O)=O)cc3)c2n1.

What is the InChIKey of 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,3-trimethylbenzenesulfonamide?

The InChIKey is MJECUJWXUGNSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O2.C25H26FN5O3S.C22H20FN5O3S/c1-17-15-33-26(31-17)21(19-6-4-18(5-7-19)16-32-11-2-3-25(32)34)13-29-27(33)30-14-22-20-10-12-35-24(20)9-8-23(22)28;1-15-11-17(35(32,33)30(3)4)5-6-18(15)21-13-28-25(31-14-16(2)29-24(21)31)27-12-20-19-9-10-34-23(19)8-7-22(20)26;1-13-12-28-21(27-13)17(14-2-4-15(5-3-14)32(24,29)30)10-25-22(28)26-11-18-16-8-9-31-20(16)7-6-19(18)23/h4-9,13,15H,2-3,10-12,14,16H2,1H3,(H,29,30);5-8,11,13-14H,9-10,12H2,1-4H3,(H,27,28);2-7,10,12H,8-9,11H2,1H3,(H,25,26)(H2,24,29,30).

What are the key properties of 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,3-trimethylbenzenesulfonamide?

4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,3-trimethylbenzenesulfonamide has a molecular weight of 1420.61 g/mol, XLogP of 11.50, 17 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,3-trimethylbenzenesulfonamide is sourced from PubChem (CID 159582277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).