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

C25H21FN6O2 — CID 155787974

IUPAC4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1
InChIInChI=1S/C25H21FN6O2/c1-31(2)24(33)16-5-3-15(4-6-16)19-12-28-25(32-14-17(11-27)30-23(19)32)29-13-20-18-9-10-34-22(18)8-7-21(20)26/h3-8,12,14H,9-10,13H2,1-2H3,(H,28,29)
InChIKeyZTQVUCDWYFVGNX-UHFFFAOYSA-N
MW456.48 g/mol
LogP3.66
Rot. Bonds5

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

4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide (PubChem CID 155787974) has the molecular formula C25H21FN6O2 and a molecular weight of 456.48 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]-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]-N,N-dimethylbenzamide
PubChem CID155787974
Molecular FormulaC25H21FN6O2
Molecular Weight456.48 g/mol
Exact Mass456.17
IUPAC Name4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1
InChIInChI=1S/C25H21FN6O2/c1-31(2)24(33)16-5-3-15(4-6-16)19-12-28-25(32-14-17(11-27)30-23(19)32)29-13-20-18-9-10-34-22(18)8-7-21(20)26/h3-8,12,14H,9-10,13H2,1-2H3,(H,28,29)
InChIKeyZTQVUCDWYFVGNX-UHFFFAOYSA-N
XLogP3.66
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 53.66
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]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-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]-N,N-dimethylbenzamide (CID 155787974) is 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-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]-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]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1.
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]-N,N-dimethylbenzamide?
The InChIKey is ZTQVUCDWYFVGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O2/c1-31(2)24(33)16-5-3-15(4-6-16)19-12-28-25(32-14-17(11-27)30-23(19)32)29-13-20-18-9-10-34-22(18)8-7-21(20)26/h3-8,12,14H,9-10,13H2,1-2H3,(H,28,29).
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]-N,N-dimethylbenzamide?
4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide has a molecular weight of 456.48 g/mol, XLogP of 3.66, 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]-N,N-dimethylbenzamide is sourced from PubChem (CID 155787974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).