6-[(3S)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline

C18H18N4O3S — CID 42568714

IUPAC6-[(3S)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESCc1cc(C2=NN(S(C)(=O)=O)[C@H](c3ccc4nccnc4c3)C2)c(C)o1
InChIInChI=1S/C18H18N4O3S/c1-11-8-14(12(2)25-11)16-10-18(22(21-16)26(3,23)24)13-4-5-15-17(9-13)20-7-6-19-15/h4-9,18H,10H2,1-3H3/t18-/m0/s1
InChIKeyDEZQTGMKNFMPMF-SFHVURJKSA-N
MW370.43 g/mol
LogP2.95
Rot. Bonds3

About 6-[(3S)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline

6-[(3S)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline (PubChem CID 42568714) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 6-[(3S)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline.

Molecular Properties

Compound Name6-[(3S)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
PubChem CID42568714
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name6-[(3S)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESCc1cc(C2=NN(S(C)(=O)=O)[C@H](c3ccc4nccnc4c3)C2)c(C)o1
InChIInChI=1S/C18H18N4O3S/c1-11-8-14(12(2)25-11)16-10-18(22(21-16)26(3,23)24)13-4-5-15-17(9-13)20-7-6-19-15/h4-9,18H,10H2,1-3H3/t18-/m0/s1
InChIKeyDEZQTGMKNFMPMF-SFHVURJKSA-N
XLogP2.95
TPSA88.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(3S)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline with MolForge

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Related Compounds

6-[(3R)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 1417686
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
(3R)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 52502986
6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 17497982
6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
CID 42956562
6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 29132132
6-[2-(benzenesulfonyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
CID 42651265
(3R)-5-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 124739055
6-[(3S)-2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 42588958
6-[2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 17497995
(3S)-3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 7480712

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The IUPAC name of 6-[(3S)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline (CID 42568714) is 6-[(3S)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline.
What is the SMILES notation for 6-[(3S)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The canonical SMILES for 6-[(3S)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline is Cc1cc(C2=NN(S(C)(=O)=O)[C@H](c3ccc4nccnc4c3)C2)c(C)o1.
What is the InChIKey of 6-[(3S)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The InChIKey is DEZQTGMKNFMPMF-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-11-8-14(12(2)25-11)16-10-18(22(21-16)26(3,23)24)13-4-5-15-17(9-13)20-7-6-19-15/h4-9,18H,10H2,1-3H3/t18-/m0/s1.
What are the key properties of 6-[(3S)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
6-[(3S)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline has a molecular weight of 370.43 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline is sourced from PubChem (CID 42568714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).