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

C25H19F3N6O2 — CID 155788185

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

4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,3-difluoro-N,N-dimethylbenzamide (PubChem CID 155788185) has the molecular formula C25H19F3N6O2 and a molecular weight of 492.46 g/mol. Its IUPAC name is 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,3-difluoro-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,3-difluoro-N,N-dimethylbenzamide
• PubChem CID: 155788185
• Molecular Formula: C25H19F3N6O2
• Molecular Weight: 492.46 g/mol
• Exact Mass: 492.15
• IUPAC Name: 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,3-difluoro-N,N-dimethylbenzamide
• SMILES: CN(C)C(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(F)c1F
• InChI: InChI=1S/C25H19F3N6O2/c1-33(2)24(35)16-4-3-15(21(27)22(16)28)18-11-31-25(34-12-13(9-29)32-23(18)34)30-10-17-14-7-8-36-20(14)6-5-19(17)26/h3-6,11-12H,7-8,10H2,1-2H3,(H,30,31)
• InChIKey: RGJMRCLTWJSRTM-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 95.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.46
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,3-difluoro-N,N-dimethylbenzamide (CID 155788185) is 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,3-difluoro-N,N-dimethylbenzamide.

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

The canonical SMILES for 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,3-difluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(F)c1F.

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

The InChIKey is RGJMRCLTWJSRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O2/c1-33(2)24(35)16-4-3-15(21(27)22(16)28)18-11-31-25(34-12-13(9-29)32-23(18)34)30-10-17-14-7-8-36-20(14)6-5-19(17)26/h3-6,11-12H,7-8,10H2,1-2H3,(H,30,31).

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

4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,3-difluoro-N,N-dimethylbenzamide has a molecular weight of 492.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,3-difluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 155788185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).