3-(1,7-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C23H19N3O2 — CID 5327690

IUPAC3-(1,7-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCc1cccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)cn(C)c12
InChIInChI=1S/C23H19N3O2/c1-13-7-6-9-15-17(12-26(3)21(13)15)20-19(22(27)24-23(20)28)16-11-25(2)18-10-5-4-8-14(16)18/h4-12H,1-3H3,(H,24,27,28)
InChIKeyNQZMHNYMTKLVTO-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.55
Rot. Bonds2

About 3-(1,7-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-(1,7-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327690) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-(1,7-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1,7-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327690
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name3-(1,7-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCc1cccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)cn(C)c12
InChIInChI=1S/C23H19N3O2/c1-13-7-6-9-15-17(12-26(3)21(13)15)20-19(22(27)24-23(20)28)16-11-25(2)18-10-5-4-8-14(16)18/h4-12H,1-3H3,(H,24,27,28)
InChIKeyNQZMHNYMTKLVTO-UHFFFAOYSA-N
XLogP3.55
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Enzastaurin
CID 176167
Tivantinib
CID 11494412
Ruboxistaurin
CID 153999
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
SB 216763
CID 176158
1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-
CID 5327686
Bisindolylmaleimide VIII
CID 2403
Pf-06840003
CID 23063810
5-Fluoro CUMYL-PICA
CID 117650397
Slv-310
CID 9888211
Iron oxide, spent
CID 5327711
Arcyriarubin A
CID 2399

Frequently Asked Questions

What is the IUPAC name of 3-(1,7-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1,7-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 5327690) is 3-(1,7-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1,7-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1,7-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cc1cccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)cn(C)c12.
What is the InChIKey of 3-(1,7-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is NQZMHNYMTKLVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-13-7-6-9-15-17(12-26(3)21(13)15)20-19(22(27)24-23(20)28)16-11-25(2)18-10-5-4-8-14(16)18/h4-12H,1-3H3,(H,24,27,28).
What are the key properties of 3-(1,7-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-(1,7-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 369.42 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,7-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).