(3R,5R)-3-hydroxy-5-[[1-methyl-2-[(1-methylindol-3-yl)methyl]indol-3-yl]methyl]oxolan-2-one

C24H24N2O3 — CID 156582044

IUPAC(3R,5R)-3-hydroxy-5-[[1-methyl-2-[(1-methylindol-3-yl)methyl]indol-3-yl]methyl]oxolan-2-one
SMILESCn1cc(Cc2c(C[C@@H]3C[C@@H](O)C(=O)O3)c3ccccc3n2C)c2ccccc21
InChIInChI=1S/C24H24N2O3/c1-25-14-15(17-7-3-5-9-20(17)25)11-22-19(12-16-13-23(27)24(28)29-16)18-8-4-6-10-21(18)26(22)2/h3-10,14,16,23,27H,11-13H2,1-2H3/t16-,23-/m1/s1
InChIKeyIFJILIRFLITILX-WAIKUNEKSA-N
MW388.47 g/mol
LogP3.48
Rot. Bonds4

About (3R,5R)-3-hydroxy-5-[[1-methyl-2-[(1-methylindol-3-yl)methyl]indol-3-yl]methyl]oxolan-2-one

(3R,5R)-3-hydroxy-5-[[1-methyl-2-[(1-methylindol-3-yl)methyl]indol-3-yl]methyl]oxolan-2-one (PubChem CID 156582044) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is (3R,5R)-3-hydroxy-5-[[1-methyl-2-[(1-methylindol-3-yl)methyl]indol-3-yl]methyl]oxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-3-hydroxy-5-[[1-methyl-2-[(1-methylindol-3-yl)methyl]indol-3-yl]methyl]oxolan-2-one
PubChem CID156582044
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name(3R,5R)-3-hydroxy-5-[[1-methyl-2-[(1-methylindol-3-yl)methyl]indol-3-yl]methyl]oxolan-2-one
SMILESCn1cc(Cc2c(C[C@@H]3C[C@@H](O)C(=O)O3)c3ccccc3n2C)c2ccccc21
InChIInChI=1S/C24H24N2O3/c1-25-14-15(17-7-3-5-9-20(17)25)11-22-19(12-16-13-23(27)24(28)29-16)18-8-4-6-10-21(18)26(22)2/h3-10,14,16,23,27H,11-13H2,1-2H3/t16-,23-/m1/s1
InChIKeyIFJILIRFLITILX-WAIKUNEKSA-N
XLogP3.48
TPSA56.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (3R,5R)-3-hydroxy-5-[[1-methyl-2-[(1-methylindol-3-yl)methyl]indol-3-yl]methyl]oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-hydroxy-5-[[1-methyl-2-[(1-methylindol-3-yl)methyl]indol-3-yl]methyl]oxolan-2-one?
The IUPAC name of (3R,5R)-3-hydroxy-5-[[1-methyl-2-[(1-methylindol-3-yl)methyl]indol-3-yl]methyl]oxolan-2-one (CID 156582044) is (3R,5R)-3-hydroxy-5-[[1-methyl-2-[(1-methylindol-3-yl)methyl]indol-3-yl]methyl]oxolan-2-one.
What is the SMILES notation for (3R,5R)-3-hydroxy-5-[[1-methyl-2-[(1-methylindol-3-yl)methyl]indol-3-yl]methyl]oxolan-2-one?
The canonical SMILES for (3R,5R)-3-hydroxy-5-[[1-methyl-2-[(1-methylindol-3-yl)methyl]indol-3-yl]methyl]oxolan-2-one is Cn1cc(Cc2c(C[C@@H]3C[C@@H](O)C(=O)O3)c3ccccc3n2C)c2ccccc21.
What is the InChIKey of (3R,5R)-3-hydroxy-5-[[1-methyl-2-[(1-methylindol-3-yl)methyl]indol-3-yl]methyl]oxolan-2-one?
The InChIKey is IFJILIRFLITILX-WAIKUNEKSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-25-14-15(17-7-3-5-9-20(17)25)11-22-19(12-16-13-23(27)24(28)29-16)18-8-4-6-10-21(18)26(22)2/h3-10,14,16,23,27H,11-13H2,1-2H3/t16-,23-/m1/s1.
What are the key properties of (3R,5R)-3-hydroxy-5-[[1-methyl-2-[(1-methylindol-3-yl)methyl]indol-3-yl]methyl]oxolan-2-one?
(3R,5R)-3-hydroxy-5-[[1-methyl-2-[(1-methylindol-3-yl)methyl]indol-3-yl]methyl]oxolan-2-one has a molecular weight of 388.47 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-hydroxy-5-[[1-methyl-2-[(1-methylindol-3-yl)methyl]indol-3-yl]methyl]oxolan-2-one is sourced from PubChem (CID 156582044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).