4-amino-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione

C21H16N4O5S — CID 169329693

IUPAC4-amino-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1ccc(S(=O)(=O)N3CCc4ccccc43)cc1)C(=O)NC2=O
InChIInChI=1S/C21H16N4O5S/c22-19-18-15(20(27)23-21(18)28)11-17(26)25(19)13-5-7-14(8-6-13)31(29,30)24-10-9-12-3-1-2-4-16(12)24/h1-8,11H,9-10,22H2,(H,23,27,28)
InChIKeySBYFNAJLOFFSPR-UHFFFAOYSA-N
MW436.45 g/mol
LogP1.05
Rot. Bonds3

About 4-amino-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione

4-amino-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169329693) has the molecular formula C21H16N4O5S and a molecular weight of 436.45 g/mol. Its IUPAC name is 4-amino-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169329693
Molecular FormulaC21H16N4O5S
Molecular Weight436.45 g/mol
Exact Mass436.08
IUPAC Name4-amino-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1ccc(S(=O)(=O)N3CCc4ccccc43)cc1)C(=O)NC2=O
InChIInChI=1S/C21H16N4O5S/c22-19-18-15(20(27)23-21(18)28)11-17(26)25(19)13-5-7-14(8-6-13)31(29,30)24-10-9-12-3-1-2-4-16(12)24/h1-8,11H,9-10,22H2,(H,23,27,28)
InChIKeySBYFNAJLOFFSPR-UHFFFAOYSA-N
XLogP1.05
TPSA131.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329920
4-amino-5-[4-(3-oxo-1H-isoindol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328731
4-amino-5-(2-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327689
6-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)naphthalene-2-sulfonic acid
CID 169331497
4-amino-5-(3-oxo-1,2-dihydroisoindol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330984
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
CID 43332089
3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione
CID 22432827
1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097
4-amino-5-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329456
4-amino-5-(2-phenylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327164
[5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methylphenyl]boronic acid
CID 169330068
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169329693) is 4-amino-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is Nc1c2c(cc(=O)n1-c1ccc(S(=O)(=O)N3CCc4ccccc43)cc1)C(=O)NC2=O.
What is the InChIKey of 4-amino-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is SBYFNAJLOFFSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O5S/c22-19-18-15(20(27)23-21(18)28)11-17(26)25(19)13-5-7-14(8-6-13)31(29,30)24-10-9-12-3-1-2-4-16(12)24/h1-8,11H,9-10,22H2,(H,23,27,28).
What are the key properties of 4-amino-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 436.45 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169329693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).