2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide

C24H20FN7O — CID 118463896

IUPAC2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide
SMILESO=C(NCCCc1ncc[nH]1)c1ccc2nc(-c3ccc(F)cc3)c(-c3cn[nH]c3)nc2c1
InChIInChI=1S/C24H20FN7O/c25-18-6-3-15(4-7-18)22-23(17-13-29-30-14-17)32-20-12-16(5-8-19(20)31-22)24(33)28-9-1-2-21-26-10-11-27-21/h3-8,10-14H,1-2,9H2,(H,26,27)(H,28,33)(H,29,30)
InChIKeyPXUQBJHBCZXLSA-UHFFFAOYSA-N
MW441.47 g/mol
LogP3.91
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide

2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide (PubChem CID 118463896) has the molecular formula C24H20FN7O and a molecular weight of 441.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide
PubChem CID118463896
Molecular FormulaC24H20FN7O
Molecular Weight441.47 g/mol
Exact Mass441.17
IUPAC Name2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide
SMILESO=C(NCCCc1ncc[nH]1)c1ccc2nc(-c3ccc(F)cc3)c(-c3cn[nH]c3)nc2c1
InChIInChI=1S/C24H20FN7O/c25-18-6-3-15(4-7-18)22-23(17-13-29-30-14-17)32-20-12-16(5-8-19(20)31-22)24(33)28-9-1-2-21-26-10-11-27-21/h3-8,10-14H,1-2,9H2,(H,26,27)(H,28,33)(H,29,30)
InChIKeyPXUQBJHBCZXLSA-UHFFFAOYSA-N
XLogP3.91
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide (CID 118463896) is 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide is O=C(NCCCc1ncc[nH]1)c1ccc2nc(-c3ccc(F)cc3)c(-c3cn[nH]c3)nc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide?
The InChIKey is PXUQBJHBCZXLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O/c25-18-6-3-15(4-7-18)22-23(17-13-29-30-14-17)32-20-12-16(5-8-19(20)31-22)24(33)28-9-1-2-21-26-10-11-27-21/h3-8,10-14H,1-2,9H2,(H,26,27)(H,28,33)(H,29,30).
What are the key properties of 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide?
2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 3.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 118463896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).