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

C₂₃H₂₀FN₇O₂ — CID 155787991

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-3-yl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155787991) has the molecular formula C₂₃H₂₀FN₇O₂ and a molecular weight of 445.46 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-3-yl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-3-yl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
• PubChem CID: 155787991
• Molecular Formula: C₂₃H₂₀FN₇O₂
• Molecular Weight: 445.46 g/mol
• Exact Mass: 445.17
• IUPAC Name: 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-3-yl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
• SMILES: N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(C4CCOC4)c3)c2n1
• InChI: InChI=1S/C23H20FN7O2/c24-20-1-2-21-17(4-6-33-21)19(20)10-27-23-26-9-18(22-29-15(7-25)12-30(22)23)14-8-28-31(11-14)16-3-5-32-13-16/h1-2,8-9,11-12,16H,3-6,10,13H2,(H,26,27)
• InChIKey: LKKATWBZSSVMRX-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 102.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.46
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-3-yl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155787991) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-3-yl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile.

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

The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-3-yl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(C4CCOC4)c3)c2n1.

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

The InChIKey is LKKATWBZSSVMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7O2/c24-20-1-2-21-17(4-6-33-21)19(20)10-27-23-26-9-18(22-29-15(7-25)12-30(22)23)14-8-28-31(11-14)16-3-5-32-13-16/h1-2,8-9,11-12,16H,3-6,10,13H2,(H,26,27).

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-3-yl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 445.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-3-yl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155787991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155787991 — identifiers, structure, computed properties (public domain)

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