(4-methoxyphenyl)-[(3R)-3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone

C23H18N4O2S — CID 51910507

IUPAC(4-methoxyphenyl)-[(3R)-3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESCOc1ccc(C(=O)N2N=C(c3ccsc3)C[C@@H]2c2ccc3nccnc3c2)cc1
InChIInChI=1S/C23H18N4O2S/c1-29-18-5-2-15(3-6-18)23(28)27-22(13-20(26-27)17-8-11-30-14-17)16-4-7-19-21(12-16)25-10-9-24-19/h2-12,14,22H,13H2,1H3/t22-/m1/s1
InChIKeyHWEMCIZTEOMONC-JOCHJYFZSA-N
MW414.49 g/mol
LogP4.69
Rot. Bonds4

About (4-methoxyphenyl)-[(3R)-3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone

(4-methoxyphenyl)-[(3R)-3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 51910507) has the molecular formula C23H18N4O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is (4-methoxyphenyl)-[(3R)-3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[(3R)-3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID51910507
Molecular FormulaC23H18N4O2S
Molecular Weight414.49 g/mol
Exact Mass414.12
IUPAC Name(4-methoxyphenyl)-[(3R)-3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESCOc1ccc(C(=O)N2N=C(c3ccsc3)C[C@@H]2c2ccc3nccnc3c2)cc1
InChIInChI=1S/C23H18N4O2S/c1-29-18-5-2-15(3-6-18)23(28)27-22(13-20(26-27)17-8-11-30-14-17)16-4-7-19-21(12-16)25-10-9-24-19/h2-12,14,22H,13H2,1H3/t22-/m1/s1
InChIKeyHWEMCIZTEOMONC-JOCHJYFZSA-N
XLogP4.69
TPSA67.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methoxyphenyl)-[(3R)-3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxyphenyl)-[(3S)-5-(2-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]methanone
CID 42589844
[(3S)-5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 42588911
(3-methoxyphenyl)-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)methanone
CID 17498000
4-oxo-4-(3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)butanoic acid
CID 42649953
1-[5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-2-methylpropan-1-one
CID 16877100
[(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 97080916
[(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 42108901
[3-(4-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3753761
1-[(3S)-5-(3-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one
CID 42535670
(4-methoxyphenyl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
CID 16660422
1-[(3R)-3-(3-hydroxy-4-methoxyphenyl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 100670398
[3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone
CID 71198157

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[(3R)-3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[(3R)-3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone (CID 51910507) is (4-methoxyphenyl)-[(3R)-3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[(3R)-3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[(3R)-3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone is COc1ccc(C(=O)N2N=C(c3ccsc3)C[C@@H]2c2ccc3nccnc3c2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[(3R)-3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is HWEMCIZTEOMONC-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H18N4O2S/c1-29-18-5-2-15(3-6-18)23(28)27-22(13-20(26-27)17-8-11-30-14-17)16-4-7-19-21(12-16)25-10-9-24-19/h2-12,14,22H,13H2,1H3/t22-/m1/s1.
What are the key properties of (4-methoxyphenyl)-[(3R)-3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone?
(4-methoxyphenyl)-[(3R)-3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 414.49 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[(3R)-3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 51910507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).