2-[5-(3-bromophenyl)-3-(1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]-[1,3]thiazolo[4,5-b]quinoxaline

C26H17BrN6S — CID 25105075

IUPAC2-[5-(3-bromophenyl)-3-(1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]-[1,3]thiazolo[4,5-b]quinoxaline
SMILESBrc1cccc(C2=NN(c3nc4nc5ccccc5nc4s3)C(c3c[nH]c4ccccc34)C2)c1
InChIInChI=1S/C26H17BrN6S/c27-16-7-5-6-15(12-16)22-13-23(18-14-28-19-9-2-1-8-17(18)19)33(32-22)26-31-24-25(34-26)30-21-11-4-3-10-20(21)29-24/h1-12,14,23,28H,13H2
InChIKeyOEPHLYABVSVESA-UHFFFAOYSA-N
MW525.44 g/mol
LogP6.84
Rot. Bonds3

About 2-[5-(3-bromophenyl)-3-(1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]-[1,3]thiazolo[4,5-b]quinoxaline

2-[5-(3-bromophenyl)-3-(1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]-[1,3]thiazolo[4,5-b]quinoxaline (PubChem CID 25105075) has the molecular formula C26H17BrN6S and a molecular weight of 525.44 g/mol. Its IUPAC name is 2-[5-(3-bromophenyl)-3-(1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]-[1,3]thiazolo[4,5-b]quinoxaline.

Molecular Properties

Compound Name2-[5-(3-bromophenyl)-3-(1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]-[1,3]thiazolo[4,5-b]quinoxaline
PubChem CID25105075
Molecular FormulaC26H17BrN6S
Molecular Weight525.44 g/mol
Exact Mass524.04
IUPAC Name2-[5-(3-bromophenyl)-3-(1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]-[1,3]thiazolo[4,5-b]quinoxaline
SMILESBrc1cccc(C2=NN(c3nc4nc5ccccc5nc4s3)C(c3c[nH]c4ccccc34)C2)c1
InChIInChI=1S/C26H17BrN6S/c27-16-7-5-6-15(12-16)22-13-23(18-14-28-19-9-2-1-8-17(18)19)33(32-22)26-31-24-25(34-26)30-21-11-4-3-10-20(21)29-24/h1-12,14,23,28H,13H2
InChIKeyOEPHLYABVSVESA-UHFFFAOYSA-N
XLogP6.84
TPSA70.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.44
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(3-bromophenyl)-3-(1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]-[1,3]thiazolo[4,5-b]quinoxaline 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 2-[5-(3-bromophenyl)-3-(1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]-[1,3]thiazolo[4,5-b]quinoxaline?
The IUPAC name of 2-[5-(3-bromophenyl)-3-(1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]-[1,3]thiazolo[4,5-b]quinoxaline (CID 25105075) is 2-[5-(3-bromophenyl)-3-(1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]-[1,3]thiazolo[4,5-b]quinoxaline.
What is the SMILES notation for 2-[5-(3-bromophenyl)-3-(1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]-[1,3]thiazolo[4,5-b]quinoxaline?
The canonical SMILES for 2-[5-(3-bromophenyl)-3-(1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]-[1,3]thiazolo[4,5-b]quinoxaline is Brc1cccc(C2=NN(c3nc4nc5ccccc5nc4s3)C(c3c[nH]c4ccccc34)C2)c1.
What is the InChIKey of 2-[5-(3-bromophenyl)-3-(1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]-[1,3]thiazolo[4,5-b]quinoxaline?
The InChIKey is OEPHLYABVSVESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrN6S/c27-16-7-5-6-15(12-16)22-13-23(18-14-28-19-9-2-1-8-17(18)19)33(32-22)26-31-24-25(34-26)30-21-11-4-3-10-20(21)29-24/h1-12,14,23,28H,13H2.
What are the key properties of 2-[5-(3-bromophenyl)-3-(1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]-[1,3]thiazolo[4,5-b]quinoxaline?
2-[5-(3-bromophenyl)-3-(1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]-[1,3]thiazolo[4,5-b]quinoxaline has a molecular weight of 525.44 g/mol, XLogP of 6.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-bromophenyl)-3-(1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]-[1,3]thiazolo[4,5-b]quinoxaline is sourced from PubChem (CID 25105075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).