4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,3-trimethylbenzenesulfonamide

C25H26FN5O3S — CID 159582278

About 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]-N,N,3-trimethylbenzenesulfonamide (PubChem CID 159582278) has the molecular formula C25H26FN5O3S and a molecular weight of 495.58 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]-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]-N,N,3-trimethylbenzenesulfonamide
• PubChem CID: 159582278
• Molecular Formula: C25H26FN5O3S
• Molecular Weight: 495.58 g/mol
• Exact Mass: 495.17
• IUPAC Name: 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(S(=O)(=O)N(C)C)cc3C)c2n1
• InChI: InChI=1S/C25H26FN5O3S/c1-15-11-17(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/h5-8,11,13-14H,9-10,12H2,1-4H3,(H,27,28)
• InChIKey: CGOMMCHQOOBYQV-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.58
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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]-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]-N,N,3-trimethylbenzenesulfonamide (CID 159582278) is 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]-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]-N,N,3-trimethylbenzenesulfonamide is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(=O)(=O)N(C)C)cc3C)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]-N,N,3-trimethylbenzenesulfonamide?

The InChIKey is CGOMMCHQOOBYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3S/c1-15-11-17(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/h5-8,11,13-14H,9-10,12H2,1-4H3,(H,27,28).

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]-N,N,3-trimethylbenzenesulfonamide?

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 495.58 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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]-N,N,3-trimethylbenzenesulfonamide is sourced from PubChem (CID 159582278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).