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

C₂₄H₂₅FN₈O — CID 155788008

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

8-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155788008) has the molecular formula C₂₄H₂₅FN₈O and a molecular weight of 460.52 g/mol. Its IUPAC name is 8-[1-[3-(dimethylamino)propyl]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-[3-(dimethylamino)propyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
• PubChem CID: 155788008
• Molecular Formula: C₂₄H₂₅FN₈O
• Molecular Weight: 460.52 g/mol
• Exact Mass: 460.21
• IUPAC Name: 8-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
• SMILES: CN(C)CCCn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
• InChI: InChI=1S/C24H25FN8O/c1-31(2)7-3-8-32-14-16(11-29-32)19-12-27-24(33-15-17(10-26)30-23(19)33)28-13-20-18-6-9-34-22(18)5-4-21(20)25/h4-5,11-12,14-15H,3,6-9,13H2,1-2H3,(H,27,28)
• InChIKey: HHMZECFYXRJRFF-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 96.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.52
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-[1-[3-(dimethylamino)propyl]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-[3-(dimethylamino)propyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155788008) is 8-[1-[3-(dimethylamino)propyl]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-[3-(dimethylamino)propyl]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-[3-(dimethylamino)propyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is CN(C)CCCn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1.

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

The InChIKey is HHMZECFYXRJRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN8O/c1-31(2)7-3-8-32-14-16(11-29-32)19-12-27-24(33-15-17(10-26)30-23(19)33)28-13-20-18-6-9-34-22(18)5-4-21(20)25/h4-5,11-12,14-15H,3,6-9,13H2,1-2H3,(H,27,28).

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

8-[1-[3-(dimethylamino)propyl]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 460.52 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-[3-(dimethylamino)propyl]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 155788008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155788008 — identifiers, structure, computed properties (public domain)

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