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

C23H20N4O6S — CID 135928020

IUPAC3-[4-[[5-(2,6-dimethoxy-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)c(OC)n1
InChIInChI=1S/C23H20N4O6S/c1-31-20-10-8-18(22(24-20)32-2)15-5-9-19-16(13-15)11-12-27(19)34(29,30)17-6-3-14(4-7-17)21-25-23(28)33-26-21/h3-10,13H,11-12H2,1-2H3,(H,25,26,28)
InChIKeyPJSQRBYALBBYFI-UHFFFAOYSA-N
MW480.50 g/mol
LogP2.86
Rot. Bonds6

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

3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 135928020) has the molecular formula C23H20N4O6S and a molecular weight of 480.50 g/mol. Its IUPAC name is 3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID135928020
Molecular FormulaC23H20N4O6S
Molecular Weight480.50 g/mol
Exact Mass480.11
IUPAC Name3-[4-[[5-(2,6-dimethoxy-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)c(OC)n1
InChIInChI=1S/C23H20N4O6S/c1-31-20-10-8-18(22(24-20)32-2)15-5-9-19-16(13-15)11-12-27(19)34(29,30)17-6-3-14(4-7-17)21-25-23(28)33-26-21/h3-10,13H,11-12H2,1-2H3,(H,25,26,28)
InChIKeyPJSQRBYALBBYFI-UHFFFAOYSA-N
XLogP2.86
TPSA127.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
5-(6-methoxy-4-methyl-3-pyridinyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 122545363
5-(6-methoxy-2-methyl-3-pyridinyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 122546769
5-(6-methoxy-4-methyl-3-pyridinyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 134549020
3-[4-[[5-(6-methoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 135928018
3-[4-[[5-(2-methoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 135928019
3-[4-[[5-(2-methoxy-6-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 135928026
3-[4-[[5-(5-methoxy-2-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 135928029
3-[4-[[5-(4-methoxyphenyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 136443769

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one (CID 135928020) is 3-[4-[[5-(2,6-dimethoxy-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-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[4-[[5-(2,6-dimethoxy-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)c(OC)n1.
What is the InChIKey of 3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is PJSQRBYALBBYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O6S/c1-31-20-10-8-18(22(24-20)32-2)15-5-9-19-16(13-15)11-12-27(19)34(29,30)17-6-3-14(4-7-17)21-25-23(28)33-26-21/h3-10,13H,11-12H2,1-2H3,(H,25,26,28).
What are the key properties of 3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one?
3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 480.50 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135928020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).