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

C25H20F2N6O2 — CID 155788182

IUPAC4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1F
InChIInChI=1S/C25H20F2N6O2/c1-32(2)24(34)17-4-3-14(9-21(17)27)18-11-29-25(33-13-15(10-28)31-23(18)33)30-12-19-16-7-8-35-22(16)6-5-20(19)26/h3-6,9,11,13H,7-8,12H2,1-2H3,(H,29,30)
InChIKeyZDIVVSQBMFUVPR-UHFFFAOYSA-N
MW474.47 g/mol
LogP3.79
Rot. Bonds5

About 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2-fluoro-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-fluoro-N,N-dimethylbenzamide (PubChem CID 155788182) has the molecular formula C25H20F2N6O2 and a molecular weight of 474.47 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-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2-fluoro-N,N-dimethylbenzamide
PubChem CID155788182
Molecular FormulaC25H20F2N6O2
Molecular Weight474.47 g/mol
Exact Mass474.16
IUPAC Name4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1F
InChIInChI=1S/C25H20F2N6O2/c1-32(2)24(34)17-4-3-14(9-21(17)27)18-11-29-25(33-13-15(10-28)31-23(18)33)30-12-19-16-7-8-35-22(16)6-5-20(19)26/h3-6,9,11,13H,7-8,12H2,1-2H3,(H,29,30)
InChIKeyZDIVVSQBMFUVPR-UHFFFAOYSA-N
XLogP3.79
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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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-fluoro-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-fluoro-N,N-dimethylbenzamide (CID 155788182) is 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2-fluoro-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-fluoro-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-fluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1F.
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-fluoro-N,N-dimethylbenzamide?
The InChIKey is ZDIVVSQBMFUVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N6O2/c1-32(2)24(34)17-4-3-14(9-21(17)27)18-11-29-25(33-13-15(10-28)31-23(18)33)30-12-19-16-7-8-35-22(16)6-5-20(19)26/h3-6,9,11,13H,7-8,12H2,1-2H3,(H,29,30).
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-fluoro-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-fluoro-N,N-dimethylbenzamide has a molecular weight of 474.47 g/mol, XLogP of 3.79, 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-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 155788182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).