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

C22H18N4O5S — CID 169329920

IUPAC4-amino-5-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)cc1
InChIInChI=1S/C22H18N4O5S/c1-12-10-13-4-2-3-5-17(13)26(12)32(30,31)15-8-6-14(7-9-15)25-18(27)11-16-19(20(25)23)22(29)24-21(16)28/h2-9,11-12H,10,23H2,1H3,(H,24,28,29)
InChIKeyPNAXWKHYGFNORN-UHFFFAOYSA-N
MW450.48 g/mol
LogP1.44
Rot. Bonds3

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

4-amino-5-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169329920) has the molecular formula C22H18N4O5S and a molecular weight of 450.48 g/mol. Its IUPAC name is 4-amino-5-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169329920
Molecular FormulaC22H18N4O5S
Molecular Weight450.48 g/mol
Exact Mass450.10
IUPAC Name4-amino-5-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)cc1
InChIInChI=1S/C22H18N4O5S/c1-12-10-13-4-2-3-5-17(13)26(12)32(30,31)15-8-6-14(7-9-15)25-18(27)11-16-19(20(25)23)22(29)24-21(16)28/h2-9,11-12H,10,23H2,1H3,(H,24,28,29)
InChIKeyPNAXWKHYGFNORN-UHFFFAOYSA-N
XLogP1.44
TPSA131.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 51.44
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-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329693
4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)benzenesulfonamide
CID 169326806
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-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329456
2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
CID 82845026
4-amino-5-(6H-benzo[b][1,4]benzodioxepin-8-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328750
4-amino-5-[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327247
4-amino-5-(2-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327689
2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
CID 43915536
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile
CID 24694007
(4S)-4-methyl-2-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 51710668
2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22695002

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169329920) is 4-amino-5-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is CC1Cc2ccccc2N1S(=O)(=O)c1ccc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)cc1.
What is the InChIKey of 4-amino-5-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is PNAXWKHYGFNORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O5S/c1-12-10-13-4-2-3-5-17(13)26(12)32(30,31)15-8-6-14(7-9-15)25-18(27)11-16-19(20(25)23)22(29)24-21(16)28/h2-9,11-12H,10,23H2,1H3,(H,24,28,29).
What are the key properties of 4-amino-5-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 450.48 g/mol, XLogP of 1.44, 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-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169329920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).