8-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile

C23H23FN8O — CID 155676982

About 8-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile

8-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155676982) has the molecular formula C23H23FN8O and a molecular weight of 446.49 g/mol. Its IUPAC name is 8-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 8-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
• PubChem CID: 155676982
• Molecular Formula: C23H23FN8O
• Molecular Weight: 446.49 g/mol
• Exact Mass: 446.20
• IUPAC Name: 8-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
• SMILES: CN(C)Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)n(C)n1
• InChI: InChI=1S/C23H23FN8O/c1-30(2)12-14-8-20(31(3)29-14)18-11-27-23(32-13-15(9-25)28-22(18)32)26-10-17-16-6-7-33-21(16)5-4-19(17)24/h4-5,8,11,13H,6-7,10,12H2,1-3H3,(H,26,27)
• InChIKey: WDAFAPSQJVMAAM-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 96.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.49
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?

The IUPAC name of 8-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155676982) is 8-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.

What is the SMILES notation for 8-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?

The canonical SMILES for 8-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is CN(C)Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)n(C)n1.

What is the InChIKey of 8-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?

The InChIKey is WDAFAPSQJVMAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O/c1-30(2)12-14-8-20(31(3)29-14)18-11-27-23(32-13-15(9-25)28-22(18)32)26-10-17-16-6-7-33-21(16)5-4-19(17)24/h4-5,8,11,13H,6-7,10,12H2,1-3H3,(H,26,27).

What are the key properties of 8-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?

8-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 446.49 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[(dimethylamino)methyl]-1-methylpyrazol-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155676982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).