7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide

C26H19F2N7O — CID 146277125

IUPAC7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
SMILESO=C(NC1CC(c2nnc(-c3ccccn3)n2-c2ccccc2F)C1)c1cc(F)cc2nccnc12
InChIInChI=1S/C26H19F2N7O/c27-16-13-18(23-21(14-16)30-9-10-31-23)26(36)32-17-11-15(12-17)24-33-34-25(20-6-3-4-8-29-20)35(24)22-7-2-1-5-19(22)28/h1-10,13-15,17H,11-12H2,(H,32,36)
InChIKeyXCFDJHIWAMYVGE-UHFFFAOYSA-N
MW483.48 g/mol
LogP4.23
Rot. Bonds5

About 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide

7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide (PubChem CID 146277125) has the molecular formula C26H19F2N7O and a molecular weight of 483.48 g/mol. Its IUPAC name is 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
PubChem CID146277125
Molecular FormulaC26H19F2N7O
Molecular Weight483.48 g/mol
Exact Mass483.16
IUPAC Name7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
SMILESO=C(NC1CC(c2nnc(-c3ccccn3)n2-c2ccccc2F)C1)c1cc(F)cc2nccnc12
InChIInChI=1S/C26H19F2N7O/c27-16-13-18(23-21(14-16)30-9-10-31-23)26(36)32-17-11-15(12-17)24-33-34-25(20-6-3-4-8-29-20)35(24)22-7-2-1-5-19(22)28/h1-10,13-15,17H,11-12H2,(H,32,36)
InChIKeyXCFDJHIWAMYVGE-UHFFFAOYSA-N
XLogP4.23
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-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 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide?
The IUPAC name of 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide (CID 146277125) is 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide.
What is the SMILES notation for 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide?
The canonical SMILES for 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide is O=C(NC1CC(c2nnc(-c3ccccn3)n2-c2ccccc2F)C1)c1cc(F)cc2nccnc12.
What is the InChIKey of 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide?
The InChIKey is XCFDJHIWAMYVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N7O/c27-16-13-18(23-21(14-16)30-9-10-31-23)26(36)32-17-11-15(12-17)24-33-34-25(20-6-3-4-8-29-20)35(24)22-7-2-1-5-19(22)28/h1-10,13-15,17H,11-12H2,(H,32,36).
What are the key properties of 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide?
7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide has a molecular weight of 483.48 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 146277125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).