N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide

C26H28FN5O — CID 55977344

IUPACN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)N(C)CCCCCc3cc(-c4cccc(F)c4)n[nH]3)cc2nc1C
InChIInChI=1S/C26H28FN5O/c1-17-18(2)29-25-15-20(11-12-23(25)28-17)26(33)32(3)13-6-4-5-10-22-16-24(31-30-22)19-8-7-9-21(27)14-19/h7-9,11-12,14-16H,4-6,10,13H2,1-3H3,(H,30,31)
InChIKeyLBMQPBHLKMWPDB-UHFFFAOYSA-N
MW445.54 g/mol
LogP5.26
Rot. Bonds8

About N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide

N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide (PubChem CID 55977344) has the molecular formula C26H28FN5O and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide
PubChem CID55977344
Molecular FormulaC26H28FN5O
Molecular Weight445.54 g/mol
Exact Mass445.23
IUPAC NameN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)N(C)CCCCCc3cc(-c4cccc(F)c4)n[nH]3)cc2nc1C
InChIInChI=1S/C26H28FN5O/c1-17-18(2)29-25-15-20(11-12-23(25)28-17)26(33)32(3)13-6-4-5-10-22-16-24(31-30-22)19-8-7-9-21(27)14-19/h7-9,11-12,14-16H,4-6,10,13H2,1-3H3,(H,30,31)
InChIKeyLBMQPBHLKMWPDB-UHFFFAOYSA-N
XLogP5.26
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-(propanoylamino)benzamide
CID 55976193
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(methylsulfamoyl)benzamide
CID 55975551
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 87042710
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide
CID 55976835
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55976056
3-ethoxy-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-methoxy-N-methylbenzamide
CID 55953206
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 60552407
4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
CID 55953724
3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide
CID 55863145
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide
CID 87042708
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 55975799
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 55953983

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide (CID 55977344) is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)N(C)CCCCCc3cc(-c4cccc(F)c4)n[nH]3)cc2nc1C.
What is the InChIKey of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide?
The InChIKey is LBMQPBHLKMWPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O/c1-17-18(2)29-25-15-20(11-12-23(25)28-17)26(33)32(3)13-6-4-5-10-22-16-24(31-30-22)19-8-7-9-21(27)14-19/h7-9,11-12,14-16H,4-6,10,13H2,1-3H3,(H,30,31).
What are the key properties of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide?
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 55977344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).