5-[(2S)-2-(2-fluorophenyl)morpholin-4-yl]pyrazine-2-carbonitrile

C15H13FN4O — CID 124570237

IUPAC5-[(2S)-2-(2-fluorophenyl)morpholin-4-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCO[C@@H](c3ccccc3F)C2)cn1
InChIInChI=1S/C15H13FN4O/c16-13-4-2-1-3-12(13)14-10-20(5-6-21-14)15-9-18-11(7-17)8-19-15/h1-4,8-9,14H,5-6,10H2/t14-/m1/s1
InChIKeySNMGPTMBLHJCIU-CQSZACIVSA-N
MW284.29 g/mol
LogP2.07
Rot. Bonds2

About 5-[(2S)-2-(2-fluorophenyl)morpholin-4-yl]pyrazine-2-carbonitrile

5-[(2S)-2-(2-fluorophenyl)morpholin-4-yl]pyrazine-2-carbonitrile (PubChem CID 124570237) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-[(2S)-2-(2-fluorophenyl)morpholin-4-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2S)-2-(2-fluorophenyl)morpholin-4-yl]pyrazine-2-carbonitrile
PubChem CID124570237
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name5-[(2S)-2-(2-fluorophenyl)morpholin-4-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCO[C@@H](c3ccccc3F)C2)cn1
InChIInChI=1S/C15H13FN4O/c16-13-4-2-1-3-12(13)14-10-20(5-6-21-14)15-9-18-11(7-17)8-19-15/h1-4,8-9,14H,5-6,10H2/t14-/m1/s1
InChIKeySNMGPTMBLHJCIU-CQSZACIVSA-N
XLogP2.07
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(2S)-2-(2-fluorophenyl)morpholin-4-yl]pyrazine-2-carbonitrile 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 5-[(2S)-2-(2-fluorophenyl)morpholin-4-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(2S)-2-(2-fluorophenyl)morpholin-4-yl]pyrazine-2-carbonitrile (CID 124570237) is 5-[(2S)-2-(2-fluorophenyl)morpholin-4-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(2S)-2-(2-fluorophenyl)morpholin-4-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(2S)-2-(2-fluorophenyl)morpholin-4-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2CCO[C@@H](c3ccccc3F)C2)cn1.
What is the InChIKey of 5-[(2S)-2-(2-fluorophenyl)morpholin-4-yl]pyrazine-2-carbonitrile?
The InChIKey is SNMGPTMBLHJCIU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-13-4-2-1-3-12(13)14-10-20(5-6-21-14)15-9-18-11(7-17)8-19-15/h1-4,8-9,14H,5-6,10H2/t14-/m1/s1.
What are the key properties of 5-[(2S)-2-(2-fluorophenyl)morpholin-4-yl]pyrazine-2-carbonitrile?
5-[(2S)-2-(2-fluorophenyl)morpholin-4-yl]pyrazine-2-carbonitrile has a molecular weight of 284.29 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(2-fluorophenyl)morpholin-4-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 124570237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).