2-[(3S)-5-(2-fluoro-4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline

C19H17FN4O3S — CID 100659019

IUPAC2-[(3S)-5-(2-fluoro-4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESCOc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cnc4ccccc4n3)C2)c(F)c1
InChIInChI=1S/C19H17FN4O3S/c1-27-12-7-8-13(14(20)9-12)17-10-19(24(23-17)28(2,25)26)18-11-21-15-5-3-4-6-16(15)22-18/h3-9,11,19H,10H2,1-2H3/t19-/m0/s1
InChIKeyZXJKDMCYQBQVDP-IBGZPJMESA-N
MW400.44 g/mol
LogP2.89
Rot. Bonds4

About 2-[(3S)-5-(2-fluoro-4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline

2-[(3S)-5-(2-fluoro-4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline (PubChem CID 100659019) has the molecular formula C19H17FN4O3S and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-[(3S)-5-(2-fluoro-4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline.

Molecular Properties

Compound Name2-[(3S)-5-(2-fluoro-4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
PubChem CID100659019
Molecular FormulaC19H17FN4O3S
Molecular Weight400.44 g/mol
Exact Mass400.10
IUPAC Name2-[(3S)-5-(2-fluoro-4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESCOc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cnc4ccccc4n3)C2)c(F)c1
InChIInChI=1S/C19H17FN4O3S/c1-27-12-7-8-13(14(20)9-12)17-10-19(24(23-17)28(2,25)26)18-11-21-15-5-3-4-6-16(15)22-18/h3-9,11,19H,10H2,1-2H3/t19-/m0/s1
InChIKeyZXJKDMCYQBQVDP-IBGZPJMESA-N
XLogP2.89
TPSA84.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3S)-5-(2-fluoro-4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline 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

2-[(3R)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 100660996
2-[(3S)-5-(1,3-benzodioxol-5-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 100660582
(3R)-5-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 97309764
(3S)-5-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 100750434
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
3-(2-fluorophenyl)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 71844513
(3R)-3-(2-fluorophenyl)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 97063965
3-(2,4-dimethoxyphenyl)-5-(2-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 86819958
(3R)-3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 100655454
3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 119038792
2-[(3S)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 100661057

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-5-(2-fluoro-4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The IUPAC name of 2-[(3S)-5-(2-fluoro-4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline (CID 100659019) is 2-[(3S)-5-(2-fluoro-4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline.
What is the SMILES notation for 2-[(3S)-5-(2-fluoro-4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The canonical SMILES for 2-[(3S)-5-(2-fluoro-4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline is COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cnc4ccccc4n3)C2)c(F)c1.
What is the InChIKey of 2-[(3S)-5-(2-fluoro-4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The InChIKey is ZXJKDMCYQBQVDP-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17FN4O3S/c1-27-12-7-8-13(14(20)9-12)17-10-19(24(23-17)28(2,25)26)18-11-21-15-5-3-4-6-16(15)22-18/h3-9,11,19H,10H2,1-2H3/t19-/m0/s1.
What are the key properties of 2-[(3S)-5-(2-fluoro-4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
2-[(3S)-5-(2-fluoro-4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline has a molecular weight of 400.44 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-5-(2-fluoro-4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline is sourced from PubChem (CID 100659019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).