3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-piperidin-1-ylquinoxaline-6-carboxamide

C25H25FN6O — CID 118453966

IUPAC3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-piperidin-1-ylquinoxaline-6-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1ccc2nc(N3CCCCC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H25FN6O/c26-19-7-4-17(5-8-19)23-24(32-14-2-1-3-15-32)31-20-9-6-18(16-21(20)30-23)25(33)29-11-10-22-27-12-13-28-22/h4-9,12-13,16H,1-3,10-11,14-15H2,(H,27,28)(H,29,33)
InChIKeyODFQBGZDAWRESJ-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.12
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-piperidin-1-ylquinoxaline-6-carboxamide

3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-piperidin-1-ylquinoxaline-6-carboxamide (PubChem CID 118453966) has the molecular formula C25H25FN6O and a molecular weight of 444.51 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-piperidin-1-ylquinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-piperidin-1-ylquinoxaline-6-carboxamide
PubChem CID118453966
Molecular FormulaC25H25FN6O
Molecular Weight444.51 g/mol
Exact Mass444.21
IUPAC Name3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-piperidin-1-ylquinoxaline-6-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1ccc2nc(N3CCCCC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H25FN6O/c26-19-7-4-17(5-8-19)23-24(32-14-2-1-3-15-32)31-20-9-6-18(16-21(20)30-23)25(33)29-11-10-22-27-12-13-28-22/h4-9,12-13,16H,1-3,10-11,14-15H2,(H,27,28)(H,29,33)
InChIKeyODFQBGZDAWRESJ-UHFFFAOYSA-N
XLogP4.12
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-piperidin-1-ylquinoxaline-6-carboxamide 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 3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-piperidin-1-ylquinoxaline-6-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-piperidin-1-ylquinoxaline-6-carboxamide (CID 118453966) is 3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-piperidin-1-ylquinoxaline-6-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-piperidin-1-ylquinoxaline-6-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-piperidin-1-ylquinoxaline-6-carboxamide is O=C(NCCc1ncc[nH]1)c1ccc2nc(N3CCCCC3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-piperidin-1-ylquinoxaline-6-carboxamide?
The InChIKey is ODFQBGZDAWRESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O/c26-19-7-4-17(5-8-19)23-24(32-14-2-1-3-15-32)31-20-9-6-18(16-21(20)30-23)25(33)29-11-10-22-27-12-13-28-22/h4-9,12-13,16H,1-3,10-11,14-15H2,(H,27,28)(H,29,33).
What are the key properties of 3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-piperidin-1-ylquinoxaline-6-carboxamide?
3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-piperidin-1-ylquinoxaline-6-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-piperidin-1-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 118453966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).