azetidine;2-(azetidin-1-ylmethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbaldehyde

C47H50F2N14O3 — CID 167567761

About azetidine;2-(azetidin-1-ylmethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbaldehyde

azetidine;2-(azetidin-1-ylmethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbaldehyde (PubChem CID 167567761) has the molecular formula C47H50F2N14O3 and a molecular weight of 897.01 g/mol. Its IUPAC name is azetidine;2-(azetidin-1-ylmethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbaldehyde.

Molecular Properties

• Compound Name: azetidine;2-(azetidin-1-ylmethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbaldehyde
• PubChem CID: 167567761
• Molecular Formula: C47H50F2N14O3
• Molecular Weight: 897.01 g/mol
• Exact Mass: 896.42
• IUPAC Name: azetidine;2-(azetidin-1-ylmethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbaldehyde
• SMILES: C1CNC1.Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C=O)nc23)n(C)n1.Cn1nccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CN3CCC3)nc12
• InChI: InChI=1S/C23H24FN7O.C21H19FN6O2.C3H7N/c1-29-20(5-7-27-29)18-12-26-23(31-14-15(28-22(18)31)13-30-8-2-9-30)25-11-17-16-6-10-32-21(16)4-3-19(17)24;1-12-7-18(27(2)26-12)16-9-24-21(28-10-13(11-29)25-20(16)28)23-8-15-14-5-6-30-19(14)4-3-17(15)22;1-2-4-3-1/h3-5,7,12,14H,2,6,8-11,13H2,1H3,(H,25,26);3-4,7,9-11H,5-6,8H2,1-2H3,(H,23,24);4H,1-3H2
• InChIKey: FMTDHIDXLBRHAB-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 170.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	897.01
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azetidine;2-(azetidin-1-ylmethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbaldehyde?

The IUPAC name of azetidine;2-(azetidin-1-ylmethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbaldehyde (CID 167567761) is azetidine;2-(azetidin-1-ylmethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbaldehyde.

What is the SMILES notation for azetidine;2-(azetidin-1-ylmethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbaldehyde?

The canonical SMILES for azetidine;2-(azetidin-1-ylmethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbaldehyde is C1CNC1.Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C=O)nc23)n(C)n1.Cn1nccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CN3CCC3)nc12.

What is the InChIKey of azetidine;2-(azetidin-1-ylmethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbaldehyde?

The InChIKey is FMTDHIDXLBRHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O.C21H19FN6O2.C3H7N/c1-29-20(5-7-27-29)18-12-26-23(31-14-15(28-22(18)31)13-30-8-2-9-30)25-11-17-16-6-10-32-21(16)4-3-19(17)24;1-12-7-18(27(2)26-12)16-9-24-21(28-10-13(11-29)25-20(16)28)23-8-15-14-5-6-30-19(14)4-3-17(15)22;1-2-4-3-1/h3-5,7,12,14H,2,6,8-11,13H2,1H3,(H,25,26);3-4,7,9-11H,5-6,8H2,1-2H3,(H,23,24);4H,1-3H2.

What are the key properties of azetidine;2-(azetidin-1-ylmethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbaldehyde?

azetidine;2-(azetidin-1-ylmethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbaldehyde has a molecular weight of 897.01 g/mol, XLogP of 5.94, 11 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for azetidine;2-(azetidin-1-ylmethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbaldehyde is sourced from PubChem (CID 167567761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).