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

C₂₃H₂₃FN₈O — CID 155788136

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

8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155788136) has the molecular formula C₂₃H₂₃FN₈O and a molecular weight of 446.49 g/mol. Its IUPAC name is 8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
• PubChem CID: 155788136
• Molecular Formula: C₂₃H₂₃FN₈O
• Molecular Weight: 446.49 g/mol
• Exact Mass: 446.20
• IUPAC Name: 8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
• SMILES: CN(C)CCn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
• InChI: InChI=1S/C23H23FN8O/c1-30(2)6-7-31-13-15(10-28-31)18-11-26-23(32-14-16(9-25)29-22(18)32)27-12-19-17-5-8-33-21(17)4-3-20(19)24/h3-4,10-11,13-14H,5-8,12H2,1-2H3,(H,26,27)
• InChIKey: ZZGXEORREMDNQW-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 96.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.49
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155788136) is 8-[1-[2-(dimethylamino)ethyl]pyrazol-4-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-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?

The canonical SMILES for 8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is CN(C)CCn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1.

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

The InChIKey is ZZGXEORREMDNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O/c1-30(2)6-7-31-13-15(10-28-31)18-11-26-23(32-14-16(9-25)29-22(18)32)27-12-19-17-5-8-33-21(17)4-3-20(19)24/h3-4,10-11,13-14H,5-8,12H2,1-2H3,(H,26,27).

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

8-[1-[2-(dimethylamino)ethyl]pyrazol-4-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 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155788136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155788136 — identifiers, structure, computed properties (public domain)

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