4-[7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-6-oxo-7H-pteridin-8-yl]benzonitrile

C25H20FN7O — CID 58405593

IUPAC4-[7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-6-oxo-7H-pteridin-8-yl]benzonitrile
SMILESCCC1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1ccc(C#N)cc1
InChIInChI=1S/C25H20FN7O/c1-3-20-24(34)31(2)21-15-29-25(30-23(21)33(20)19-10-4-16(14-27)5-11-19)32-13-12-28-22(32)17-6-8-18(26)9-7-17/h4-13,15,20H,3H2,1-2H3
InChIKeySQHOHRAPERDRPS-UHFFFAOYSA-N
MW453.48 g/mol
LogP4.23
Rot. Bonds4

About 4-[7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-6-oxo-7H-pteridin-8-yl]benzonitrile

4-[7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-6-oxo-7H-pteridin-8-yl]benzonitrile (PubChem CID 58405593) has the molecular formula C25H20FN7O and a molecular weight of 453.48 g/mol. Its IUPAC name is 4-[7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-6-oxo-7H-pteridin-8-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-6-oxo-7H-pteridin-8-yl]benzonitrile
PubChem CID58405593
Molecular FormulaC25H20FN7O
Molecular Weight453.48 g/mol
Exact Mass453.17
IUPAC Name4-[7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-6-oxo-7H-pteridin-8-yl]benzonitrile
SMILESCCC1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1ccc(C#N)cc1
InChIInChI=1S/C25H20FN7O/c1-3-20-24(34)31(2)21-15-29-25(30-23(21)33(20)19-10-4-16(14-27)5-11-19)32-13-12-28-22(32)17-6-8-18(26)9-7-17/h4-13,15,20H,3H2,1-2H3
InChIKeySQHOHRAPERDRPS-UHFFFAOYSA-N
XLogP4.23
TPSA90.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-6-oxo-7H-pteridin-8-yl]benzonitrile 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-[7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-6-oxo-7H-pteridin-8-yl]benzonitrile?
The IUPAC name of 4-[7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-6-oxo-7H-pteridin-8-yl]benzonitrile (CID 58405593) is 4-[7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-6-oxo-7H-pteridin-8-yl]benzonitrile.
What is the SMILES notation for 4-[7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-6-oxo-7H-pteridin-8-yl]benzonitrile?
The canonical SMILES for 4-[7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-6-oxo-7H-pteridin-8-yl]benzonitrile is CCC1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1ccc(C#N)cc1.
What is the InChIKey of 4-[7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-6-oxo-7H-pteridin-8-yl]benzonitrile?
The InChIKey is SQHOHRAPERDRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7O/c1-3-20-24(34)31(2)21-15-29-25(30-23(21)33(20)19-10-4-16(14-27)5-11-19)32-13-12-28-22(32)17-6-8-18(26)9-7-17/h4-13,15,20H,3H2,1-2H3.
What are the key properties of 4-[7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-6-oxo-7H-pteridin-8-yl]benzonitrile?
4-[7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-6-oxo-7H-pteridin-8-yl]benzonitrile has a molecular weight of 453.48 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-6-oxo-7H-pteridin-8-yl]benzonitrile is sourced from PubChem (CID 58405593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).