2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-propan-2-ylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde

C47H50F5N13O3 — CID 167630840

About 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-propan-2-ylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde

2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-propan-2-ylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde (PubChem CID 167630840) has the molecular formula C47H50F5N13O3 and a molecular weight of 939.99 g/mol. Its IUPAC name is 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-propan-2-ylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-propan-2-ylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde
• PubChem CID: 167630840
• Molecular Formula: C47H50F5N13O3
• Molecular Weight: 939.99 g/mol
• Exact Mass: 939.41
• IUPAC Name: 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-propan-2-ylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde
• SMILES: Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(C)C)nc23)n(C)n1.Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(C)N)nc23)n(C)n1.O=CC(F)(F)F
• InChI: InChI=1S/C23H25FN6O.C22H24FN7O.C2HF3O/c1-13(2)19-12-30-22(27-19)17(20-9-14(3)28-29(20)4)11-26-23(30)25-10-16-15-7-8-31-21(15)6-5-18(16)24;1-12-8-19(29(3)28-12)16-10-26-22(30-11-18(13(2)24)27-21(16)30)25-9-15-14-6-7-31-20(14)5-4-17(15)23;3-2(4,5)1-6/h5-6,9,11-13H,7-8,10H2,1-4H3,(H,25,26);4-5,8,10-11,13H,6-7,9,24H2,1-3H3,(H,25,26);1H
• InChIKey: NTTUIECQYPLPIA-UHFFFAOYSA-N
• XLogP: 8.14
• TPSA: 181.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	939.99
LogP ≤ 5	8.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-propan-2-ylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-propan-2-ylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde (CID 167630840) is 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-propan-2-ylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-propan-2-ylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-propan-2-ylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde is Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(C)C)nc23)n(C)n1.Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(C)N)nc23)n(C)n1.O=CC(F)(F)F.

What is the InChIKey of 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-propan-2-ylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde?

The InChIKey is NTTUIECQYPLPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O.C22H24FN7O.C2HF3O/c1-13(2)19-12-30-22(27-19)17(20-9-14(3)28-29(20)4)11-26-23(30)25-10-16-15-7-8-31-21(15)6-5-18(16)24;1-12-8-19(29(3)28-12)16-10-26-22(30-11-18(13(2)24)27-21(16)30)25-9-15-14-6-7-31-20(14)5-4-17(15)23;3-2(4,5)1-6/h5-6,9,11-13H,7-8,10H2,1-4H3,(H,25,26);4-5,8,10-11,13H,6-7,9,24H2,1-3H3,(H,25,26);1H.

What are the key properties of 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-propan-2-ylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde?

2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-propan-2-ylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde has a molecular weight of 939.99 g/mol, XLogP of 8.14, 10 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-propan-2-ylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 167630840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).