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

C23H18N4O2S — CID 42588911

IUPAC[(3S)-5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccc4nccnc4c3)C2)cc1
InChIInChI=1S/C23H18N4O2S/c1-29-17-7-4-15(5-8-17)19-14-21(27(26-19)23(28)22-3-2-12-30-22)16-6-9-18-20(13-16)25-11-10-24-18/h2-13,21H,14H2,1H3/t21-/m0/s1
InChIKeyMGFZAJYPURMZIS-NRFANRHFSA-N
MW414.49 g/mol
LogP4.69
Rot. Bonds4

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

[(3S)-5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone (PubChem CID 42588911) has the molecular formula C23H18N4O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is [(3S)-5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
PubChem CID42588911
Molecular FormulaC23H18N4O2S
Molecular Weight414.49 g/mol
Exact Mass414.12
IUPAC Name[(3S)-5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccc4nccnc4c3)C2)cc1
InChIInChI=1S/C23H18N4O2S/c1-29-17-7-4-15(5-8-17)19-14-21(27(26-19)23(28)22-3-2-12-30-22)16-6-9-18-20(13-16)25-11-10-24-18/h2-13,21H,14H2,1H3/t21-/m0/s1
InChIKeyMGFZAJYPURMZIS-NRFANRHFSA-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 [(3S)-5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone with MolForge

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Related Compounds

[(3R)-3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 97063985
1-[5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-2-methylpropan-1-one
CID 16877100
(4-methoxyphenyl)-[(3R)-3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 51910507
(3-methoxyphenyl)-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)methanone
CID 17498000
[(3R)-5-(3,5-dimethoxyphenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 99798954
[5-(3,5-dimethoxyphenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 91653427
(4-methoxyphenyl)-[(3S)-5-(2-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]methanone
CID 42589844
[(3S)-3-(3-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 124728864
[(3R)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 1217411
6-[5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 3157414
6-[(3R)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 1091980
1-[(3S)-5-(3-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one
CID 42535670

Frequently Asked Questions

What is the IUPAC name of [(3S)-5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(3S)-5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone (CID 42588911) is [(3S)-5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(3S)-5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(3S)-5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone is COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccc4nccnc4c3)C2)cc1.
What is the InChIKey of [(3S)-5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The InChIKey is MGFZAJYPURMZIS-NRFANRHFSA-N. The full InChI is InChI=1S/C23H18N4O2S/c1-29-17-7-4-15(5-8-17)19-14-21(27(26-19)23(28)22-3-2-12-30-22)16-6-9-18-20(13-16)25-11-10-24-18/h2-13,21H,14H2,1H3/t21-/m0/s1.
What are the key properties of [(3S)-5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
[(3S)-5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone 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 [(3S)-5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 42588911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).