3-[4-[[5-(6-methoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one

C22H18N4O5S — CID 135928018

IUPAC3-[4-[[5-(6-methoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one
SMILESCOc1ccc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(-c3noc(=O)[nH]3)cc2)cn1
InChIInChI=1S/C22H18N4O5S/c1-30-20-9-5-17(13-23-20)15-4-8-19-16(12-15)10-11-26(19)32(28,29)18-6-2-14(3-7-18)21-24-22(27)31-25-21/h2-9,12-13H,10-11H2,1H3,(H,24,25,27)
InChIKeyWQBOHFNDCHCVRR-UHFFFAOYSA-N
MW450.48 g/mol
LogP2.85
Rot. Bonds5

About 3-[4-[[5-(6-methoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one

3-[4-[[5-(6-methoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 135928018) has the molecular formula C22H18N4O5S and a molecular weight of 450.48 g/mol. Its IUPAC name is 3-[4-[[5-(6-methoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[4-[[5-(6-methoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID135928018
Molecular FormulaC22H18N4O5S
Molecular Weight450.48 g/mol
Exact Mass450.10
IUPAC Name3-[4-[[5-(6-methoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one
SMILESCOc1ccc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(-c3noc(=O)[nH]3)cc2)cn1
InChIInChI=1S/C22H18N4O5S/c1-30-20-9-5-17(13-23-20)15-4-8-19-16(12-15)10-11-26(19)32(28,29)18-6-2-14(3-7-18)21-24-22(27)31-25-21/h2-9,12-13H,10-11H2,1H3,(H,24,25,27)
InChIKeyWQBOHFNDCHCVRR-UHFFFAOYSA-N
XLogP2.85
TPSA118.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-[[5-(6-methoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one 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

1-(4-Methoxyphenyl)sulfonyl-7-pyridin-4-yl-2,3-dihydroindole
CID 50898338
1-(3-Methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydroindole
CID 118714825
1-(4-Methoxyphenyl)sulfonyl-7-pyridin-3-yl-2,3-dihydroindole
CID 66757545
2-(6-Methoxy-3-pyridyl)-4-(4-methylsulfonylphenyl)aniline
CID 72711831
3-[4-[[5-(2-methoxy-6-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one
CID 58408269
3-[4-[[5-(2-methoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one
CID 58408287
3-[4-[[5-(6-methoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one
CID 58408296
3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one
CID 58408304
3-[4-[[5-(5-methoxy-2-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one
CID 58408305
5-(6-methoxy-4-methyl-3-pyridinyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 122545363
N-[(4-ethylsulfonylphenyl)methyl]-5-(2-methoxy-4-methyl-3-pyridinyl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 122545394
5-(6-methoxy-2-methyl-3-pyridinyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 122546769

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[5-(6-methoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[4-[[5-(6-methoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one (CID 135928018) is 3-[4-[[5-(6-methoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[4-[[5-(6-methoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[4-[[5-(6-methoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one is COc1ccc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(-c3noc(=O)[nH]3)cc2)cn1.
What is the InChIKey of 3-[4-[[5-(6-methoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is WQBOHFNDCHCVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O5S/c1-30-20-9-5-17(13-23-20)15-4-8-19-16(12-15)10-11-26(19)32(28,29)18-6-2-14(3-7-18)21-24-22(27)31-25-21/h2-9,12-13H,10-11H2,1H3,(H,24,25,27).
What are the key properties of 3-[4-[[5-(6-methoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one?
3-[4-[[5-(6-methoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 450.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[5-(6-methoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135928018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).