N-(3-imidazol-1-ylpropyl)-2-(1-methylpyrazol-4-yl)-3-phenylquinoxaline-6-carboxamide

C25H23N7O — CID 118463699

IUPACN-(3-imidazol-1-ylpropyl)-2-(1-methylpyrazol-4-yl)-3-phenylquinoxaline-6-carboxamide
SMILESCn1cc(-c2nc3ccc(C(=O)NCCCn4ccnc4)cc3nc2-c2ccccc2)cn1
InChIInChI=1S/C25H23N7O/c1-31-16-20(15-28-31)24-23(18-6-3-2-4-7-18)30-22-14-19(8-9-21(22)29-24)25(33)27-10-5-12-32-13-11-26-17-32/h2-4,6-9,11,13-17H,5,10,12H2,1H3,(H,27,33)
InChIKeyKWCCAUZOYURALI-UHFFFAOYSA-N
MW437.51 g/mol
LogP3.71
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-2-(1-methylpyrazol-4-yl)-3-phenylquinoxaline-6-carboxamide

N-(3-imidazol-1-ylpropyl)-2-(1-methylpyrazol-4-yl)-3-phenylquinoxaline-6-carboxamide (PubChem CID 118463699) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(1-methylpyrazol-4-yl)-3-phenylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(1-methylpyrazol-4-yl)-3-phenylquinoxaline-6-carboxamide
PubChem CID118463699
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(1-methylpyrazol-4-yl)-3-phenylquinoxaline-6-carboxamide
SMILESCn1cc(-c2nc3ccc(C(=O)NCCCn4ccnc4)cc3nc2-c2ccccc2)cn1
InChIInChI=1S/C25H23N7O/c1-31-16-20(15-28-31)24-23(18-6-3-2-4-7-18)30-22-14-19(8-9-21(22)29-24)25(33)27-10-5-12-32-13-11-26-17-32/h2-4,6-9,11,13-17H,5,10,12H2,1H3,(H,27,33)
InChIKeyKWCCAUZOYURALI-UHFFFAOYSA-N
XLogP3.71
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-2-(1-methylpyrazol-4-yl)-3-phenylquinoxaline-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 N-(3-imidazol-1-ylpropyl)-2-(1-methylpyrazol-4-yl)-3-phenylquinoxaline-6-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(1-methylpyrazol-4-yl)-3-phenylquinoxaline-6-carboxamide (CID 118463699) is N-(3-imidazol-1-ylpropyl)-2-(1-methylpyrazol-4-yl)-3-phenylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(1-methylpyrazol-4-yl)-3-phenylquinoxaline-6-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(1-methylpyrazol-4-yl)-3-phenylquinoxaline-6-carboxamide is Cn1cc(-c2nc3ccc(C(=O)NCCCn4ccnc4)cc3nc2-c2ccccc2)cn1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(1-methylpyrazol-4-yl)-3-phenylquinoxaline-6-carboxamide?
The InChIKey is KWCCAUZOYURALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-31-16-20(15-28-31)24-23(18-6-3-2-4-7-18)30-22-14-19(8-9-21(22)29-24)25(33)27-10-5-12-32-13-11-26-17-32/h2-4,6-9,11,13-17H,5,10,12H2,1H3,(H,27,33).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(1-methylpyrazol-4-yl)-3-phenylquinoxaline-6-carboxamide?
N-(3-imidazol-1-ylpropyl)-2-(1-methylpyrazol-4-yl)-3-phenylquinoxaline-6-carboxamide has a molecular weight of 437.51 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(1-methylpyrazol-4-yl)-3-phenylquinoxaline-6-carboxamide is sourced from PubChem (CID 118463699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).