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

C26H20FN7O — CID 146282333

IUPACN-[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)c1cccc2nccnc12
InChIInChI=1S/C26H20FN7O/c27-19-7-1-2-10-22(19)34-24(32-33-25(34)21-8-3-4-11-28-21)16-14-17(15-16)31-26(35)18-6-5-9-20-23(18)30-13-12-29-20/h1-13,16-17H,14-15H2,(H,31,35)
InChIKeyQJLWWFZKVSGPLU-UHFFFAOYSA-N
MW465.49 g/mol
LogP4.09
Rot. Bonds5

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

N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide (PubChem CID 146282333) has the molecular formula C26H20FN7O and a molecular weight of 465.49 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
PubChem CID146282333
Molecular FormulaC26H20FN7O
Molecular Weight465.49 g/mol
Exact Mass465.17
IUPAC NameN-[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)c1cccc2nccnc12
InChIInChI=1S/C26H20FN7O/c27-19-7-1-2-10-22(19)34-24(32-33-25(34)21-8-3-4-11-28-21)16-14-17(15-16)31-26(35)18-6-5-9-20-23(18)30-13-12-29-20/h1-13,16-17H,14-15H2,(H,31,35)
InChIKeyQJLWWFZKVSGPLU-UHFFFAOYSA-N
XLogP4.09
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide (CID 146282333) is 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 N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide?
The canonical SMILES for 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)c1cccc2nccnc12.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide?
The InChIKey is QJLWWFZKVSGPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7O/c27-19-7-1-2-10-22(19)34-24(32-33-25(34)21-8-3-4-11-28-21)16-14-17(15-16)31-26(35)18-6-5-9-20-23(18)30-13-12-29-20/h1-13,16-17H,14-15H2,(H,31,35).
What are the key properties of N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide?
N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 146282333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).