2-fluoro-4-[2-(5-methoxypyrazin-2-yl)-5-(morpholin-2-ylmethyl)phenyl]benzonitrile

C23H21FN4O2 — CID 171773374

IUPAC2-fluoro-4-[2-(5-methoxypyrazin-2-yl)-5-(morpholin-2-ylmethyl)phenyl]benzonitrile
SMILESCOc1cnc(-c2ccc(CC3CNCCO3)cc2-c2ccc(C#N)c(F)c2)cn1
InChIInChI=1S/C23H21FN4O2/c1-29-23-14-27-22(13-28-23)19-5-2-15(8-18-12-26-6-7-30-18)9-20(19)16-3-4-17(11-25)21(24)10-16/h2-5,9-10,13-14,18,26H,6-8,12H2,1H3
InChIKeyBYPGBILILJYNOW-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.36
Rot. Bonds5

About 2-fluoro-4-[2-(5-methoxypyrazin-2-yl)-5-(morpholin-2-ylmethyl)phenyl]benzonitrile

2-fluoro-4-[2-(5-methoxypyrazin-2-yl)-5-(morpholin-2-ylmethyl)phenyl]benzonitrile (PubChem CID 171773374) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 2-fluoro-4-[2-(5-methoxypyrazin-2-yl)-5-(morpholin-2-ylmethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[2-(5-methoxypyrazin-2-yl)-5-(morpholin-2-ylmethyl)phenyl]benzonitrile
PubChem CID171773374
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name2-fluoro-4-[2-(5-methoxypyrazin-2-yl)-5-(morpholin-2-ylmethyl)phenyl]benzonitrile
SMILESCOc1cnc(-c2ccc(CC3CNCCO3)cc2-c2ccc(C#N)c(F)c2)cn1
InChIInChI=1S/C23H21FN4O2/c1-29-23-14-27-22(13-28-23)19-5-2-15(8-18-12-26-6-7-30-18)9-20(19)16-3-4-17(11-25)21(24)10-16/h2-5,9-10,13-14,18,26H,6-8,12H2,1H3
InChIKeyBYPGBILILJYNOW-UHFFFAOYSA-N
XLogP3.36
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-4-[2-(5-methoxypyrazin-2-yl)-5-(morpholin-2-ylmethyl)phenyl]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 2-fluoro-4-[2-(5-methoxypyrazin-2-yl)-5-(morpholin-2-ylmethyl)phenyl]benzonitrile?
The IUPAC name of 2-fluoro-4-[2-(5-methoxypyrazin-2-yl)-5-(morpholin-2-ylmethyl)phenyl]benzonitrile (CID 171773374) is 2-fluoro-4-[2-(5-methoxypyrazin-2-yl)-5-(morpholin-2-ylmethyl)phenyl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[2-(5-methoxypyrazin-2-yl)-5-(morpholin-2-ylmethyl)phenyl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[2-(5-methoxypyrazin-2-yl)-5-(morpholin-2-ylmethyl)phenyl]benzonitrile is COc1cnc(-c2ccc(CC3CNCCO3)cc2-c2ccc(C#N)c(F)c2)cn1.
What is the InChIKey of 2-fluoro-4-[2-(5-methoxypyrazin-2-yl)-5-(morpholin-2-ylmethyl)phenyl]benzonitrile?
The InChIKey is BYPGBILILJYNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-29-23-14-27-22(13-28-23)19-5-2-15(8-18-12-26-6-7-30-18)9-20(19)16-3-4-17(11-25)21(24)10-16/h2-5,9-10,13-14,18,26H,6-8,12H2,1H3.
What are the key properties of 2-fluoro-4-[2-(5-methoxypyrazin-2-yl)-5-(morpholin-2-ylmethyl)phenyl]benzonitrile?
2-fluoro-4-[2-(5-methoxypyrazin-2-yl)-5-(morpholin-2-ylmethyl)phenyl]benzonitrile has a molecular weight of 404.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-(5-methoxypyrazin-2-yl)-5-(morpholin-2-ylmethyl)phenyl]benzonitrile is sourced from PubChem (CID 171773374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).