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

C₂₄H₂₂FN₇O₂ — CID 155787988

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-3-ylmethyl)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-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155787988) has the molecular formula C₂₄H₂₂FN₇O₂ and a molecular weight of 459.49 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-3-ylmethyl)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-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
• PubChem CID: 155787988
• Molecular Formula: C₂₄H₂₂FN₇O₂
• Molecular Weight: 459.49 g/mol
• Exact Mass: 459.18
• IUPAC Name: 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
• SMILES: N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(CC4CCOC4)c3)c2n1
• InChI: InChI=1S/C24H22FN7O2/c25-21-1-2-22-18(4-6-34-22)20(21)10-28-24-27-9-19(23-30-17(7-26)13-32(23)24)16-8-29-31(12-16)11-15-3-5-33-14-15/h1-2,8-9,12-13,15H,3-6,10-11,14H2,(H,27,28)
• InChIKey: AVAZTTCDLJIOJM-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 102.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.49
LogP ≤ 5	3.19
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-ylmethyl)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-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155787988) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-3-ylmethyl)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-ylmethyl)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-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(CC4CCOC4)c3)c2n1.

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

The InChIKey is AVAZTTCDLJIOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O2/c25-21-1-2-22-18(4-6-34-22)20(21)10-28-24-27-9-19(23-30-17(7-26)13-32(23)24)16-8-29-31(12-16)11-15-3-5-33-14-15/h1-2,8-9,12-13,15H,3-6,10-11,14H2,(H,27,28).

What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(oxolan-3-ylmethyl)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-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 459.49 g/mol, XLogP of 3.19, 6 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-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155787988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155787988 — identifiers, structure, computed properties (public domain)

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