(1R,3R,3aR,6aS)-1-(1H-indol-3-ylmethyl)-5-[(4-methoxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione

C30H26N4O4 — CID 40824109

IUPAC(1R,3R,3aR,6aS)-1-(1H-indol-3-ylmethyl)-5-[(4-methoxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
SMILESCOc1ccc(CN2C(=O)[C@H]3[C@@H](C2=O)[C@]2(N[C@@H]3Cc3c[nH]c4ccccc34)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C30H26N4O4/c1-38-19-12-10-17(11-13-19)16-34-27(35)25-24(14-18-15-31-22-8-4-2-6-20(18)22)33-30(26(25)28(34)36)21-7-3-5-9-23(21)32-29(30)37/h2-13,15,24-26,31,33H,14,16H2,1H3,(H,32,37)/t24-,25-,26+,30+/m1/s1
InChIKeyDQGWYEUEMBFIPM-YTEUAAESSA-N
MW506.56 g/mol
LogP3.34
Rot. Bonds5

About (1R,3R,3aR,6aS)-1-(1H-indol-3-ylmethyl)-5-[(4-methoxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione

(1R,3R,3aR,6aS)-1-(1H-indol-3-ylmethyl)-5-[(4-methoxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione (PubChem CID 40824109) has the molecular formula C30H26N4O4 and a molecular weight of 506.56 g/mol. Its IUPAC name is (1R,3R,3aR,6aS)-1-(1H-indol-3-ylmethyl)-5-[(4-methoxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione.

Molecular Properties

Compound Name(1R,3R,3aR,6aS)-1-(1H-indol-3-ylmethyl)-5-[(4-methoxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
PubChem CID40824109
Molecular FormulaC30H26N4O4
Molecular Weight506.56 g/mol
Exact Mass506.20
IUPAC Name(1R,3R,3aR,6aS)-1-(1H-indol-3-ylmethyl)-5-[(4-methoxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
SMILESCOc1ccc(CN2C(=O)[C@H]3[C@@H](C2=O)[C@]2(N[C@@H]3Cc3c[nH]c4ccccc34)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C30H26N4O4/c1-38-19-12-10-17(11-13-19)16-34-27(35)25-24(14-18-15-31-22-8-4-2-6-20(18)22)33-30(26(25)28(34)36)21-7-3-5-9-23(21)32-29(30)37/h2-13,15,24-26,31,33H,14,16H2,1H3,(H,32,37)/t24-,25-,26+,30+/m1/s1
InChIKeyDQGWYEUEMBFIPM-YTEUAAESSA-N
XLogP3.34
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,3R,3aR,6aS)-1-(1H-indol-3-ylmethyl)-5-[(4-methoxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione with MolForge

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Related Compounds

1-(1H-indol-3-ylmethyl)-5-(4-methoxyphenyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 4834438
(1S,3S,3aR,6aR)-5-butyl-1-(1H-indol-3-ylmethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 92697720
1-(1H-indol-3-ylmethyl)-5-(3-methoxyphenyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 73256511
(1R,3S,3aR,6aR)-5-[(4-methoxyphenyl)methyl]-1-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 163045474
(1S,3R,3aR,6aS)-5'-chloro-1-(1H-indol-3-ylmethyl)-5-(4-methoxyphenyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 95372978
(1R,3S,3aR,6aR)-5'-bromo-1-(1H-indol-3-ylmethyl)-5-(4-methoxyphenyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 98451092
(1S,3S,3aS,6aS)-5'-bromo-1-(1H-indol-3-ylmethyl)-5-(4-methoxyphenyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 124817683
(1R,3R,3aR,6aS)-5'-fluoro-1-(1H-indol-3-ylmethyl)-5-(4-methoxyphenyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 51554995
5'-chloro-5-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1H-indol-3-ylmethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 44663882
(1S,3R,3aR,6aS)-5-(3,5-dichlorophenyl)-1-(1H-indol-3-ylmethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 98205660
(1S,3S,3aS,6aS)-5-(1,3-benzodioxol-5-ylmethyl)-5'-chloro-1-(1H-indol-3-ylmethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 100878787
5-(4-fluorophenyl)-1-(1H-indol-3-ylmethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 73400221

Frequently Asked Questions

What is the IUPAC name of (1R,3R,3aR,6aS)-1-(1H-indol-3-ylmethyl)-5-[(4-methoxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione?
The IUPAC name of (1R,3R,3aR,6aS)-1-(1H-indol-3-ylmethyl)-5-[(4-methoxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione (CID 40824109) is (1R,3R,3aR,6aS)-1-(1H-indol-3-ylmethyl)-5-[(4-methoxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione.
What is the SMILES notation for (1R,3R,3aR,6aS)-1-(1H-indol-3-ylmethyl)-5-[(4-methoxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione?
The canonical SMILES for (1R,3R,3aR,6aS)-1-(1H-indol-3-ylmethyl)-5-[(4-methoxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione is COc1ccc(CN2C(=O)[C@H]3[C@@H](C2=O)[C@]2(N[C@@H]3Cc3c[nH]c4ccccc34)C(=O)Nc3ccccc32)cc1.
What is the InChIKey of (1R,3R,3aR,6aS)-1-(1H-indol-3-ylmethyl)-5-[(4-methoxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione?
The InChIKey is DQGWYEUEMBFIPM-YTEUAAESSA-N. The full InChI is InChI=1S/C30H26N4O4/c1-38-19-12-10-17(11-13-19)16-34-27(35)25-24(14-18-15-31-22-8-4-2-6-20(18)22)33-30(26(25)28(34)36)21-7-3-5-9-23(21)32-29(30)37/h2-13,15,24-26,31,33H,14,16H2,1H3,(H,32,37)/t24-,25-,26+,30+/m1/s1.
What are the key properties of (1R,3R,3aR,6aS)-1-(1H-indol-3-ylmethyl)-5-[(4-methoxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione?
(1R,3R,3aR,6aS)-1-(1H-indol-3-ylmethyl)-5-[(4-methoxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione has a molecular weight of 506.56 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,3aR,6aS)-1-(1H-indol-3-ylmethyl)-5-[(4-methoxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione is sourced from PubChem (CID 40824109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).