5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide

C₂₅H₂₂FN₇O₂ — CID 155788063

About 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide

5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide (PubChem CID 155788063) has the molecular formula C₂₅H₂₂FN₇O₂ and a molecular weight of 471.50 g/mol. Its IUPAC name is 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide
• PubChem CID: 155788063
• Molecular Formula: C₂₅H₂₂FN₇O₂
• Molecular Weight: 471.50 g/mol
• Exact Mass: 471.18
• IUPAC Name: 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide
• SMILES: Cc1cc(C(=O)N(C)C)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
• InChI: InChI=1S/C25H22FN7O2/c1-14-8-21(24(34)32(2)3)28-10-17(14)19-12-30-25(33-13-15(9-27)31-23(19)33)29-11-18-16-6-7-35-22(16)5-4-20(18)26/h4-5,8,10,12-13H,6-7,11H2,1-3H3,(H,29,30)
• InChIKey: LXXIUEJPNHZLJV-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 108.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.50
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide?

The IUPAC name of 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide (CID 155788063) is 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide.

What is the SMILES notation for 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide?

The canonical SMILES for 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide is Cc1cc(C(=O)N(C)C)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12.

What is the InChIKey of 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide?

The InChIKey is LXXIUEJPNHZLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O2/c1-14-8-21(24(34)32(2)3)28-10-17(14)19-12-30-25(33-13-15(9-27)31-23(19)33)29-11-18-16-6-7-35-22(16)5-4-20(18)26/h4-5,8,10,12-13H,6-7,11H2,1-3H3,(H,29,30).

What are the key properties of 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide?

5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide has a molecular weight of 471.50 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide is sourced from PubChem (CID 155788063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155788063 — identifiers, structure, computed properties (public domain)

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