ethane;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[6-(2-methoxyethoxy)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile

C26H27FN6O3 — CID 176698621

About ethane;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[6-(2-methoxyethoxy)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile

ethane;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[6-(2-methoxyethoxy)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 176698621) has the molecular formula C26H27FN6O3 and a molecular weight of 490.54 g/mol. Its IUPAC name is ethane;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[6-(2-methoxyethoxy)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: ethane;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[6-(2-methoxyethoxy)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile
• PubChem CID: 176698621
• Molecular Formula: C26H27FN6O3
• Molecular Weight: 490.54 g/mol
• Exact Mass: 490.21
• IUPAC Name: ethane;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[6-(2-methoxyethoxy)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile
• SMILES: CC.COCCOc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
• InChI: InChI=1S/C24H21FN6O3.C2H6/c1-32-8-9-34-22-5-2-15(11-27-22)18-12-28-24(31-14-16(10-26)30-23(18)31)29-13-19-17-6-7-33-21(17)4-3-20(19)25;1-2/h2-5,11-12,14H,6-9,13H2,1H3,(H,28,29);1-2H3
• InChIKey: QTHINPKVSGFNHA-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 106.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.54
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[6-(2-methoxyethoxy)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?

The IUPAC name of ethane;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[6-(2-methoxyethoxy)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 176698621) is ethane;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[6-(2-methoxyethoxy)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile.

What is the SMILES notation for ethane;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[6-(2-methoxyethoxy)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?

The canonical SMILES for ethane;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[6-(2-methoxyethoxy)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile is CC.COCCOc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1.

What is the InChIKey of ethane;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[6-(2-methoxyethoxy)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?

The InChIKey is QTHINPKVSGFNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O3.C2H6/c1-32-8-9-34-22-5-2-15(11-27-22)18-12-28-24(31-14-16(10-26)30-23(18)31)29-13-19-17-6-7-33-21(17)4-3-20(19)25;1-2/h2-5,11-12,14H,6-9,13H2,1H3,(H,28,29);1-2H3.

What are the key properties of ethane;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[6-(2-methoxyethoxy)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?

ethane;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[6-(2-methoxyethoxy)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 490.54 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[6-(2-methoxyethoxy)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 176698621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).