methyl 3-[3-(5-methoxycarbonyl-1H-indol-3-yl)-2-oxo-1H-indol-3-yl]-1H-indole-5-carboxylate

C28H21N3O5 — CID 70687381

IUPACmethyl 3-[3-(5-methoxycarbonyl-1H-indol-3-yl)-2-oxo-1H-indol-3-yl]-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]cc(C3(c4c[nH]c5ccc(C(=O)OC)cc45)C(=O)Nc4ccccc43)c2c1
InChIInChI=1S/C28H21N3O5/c1-35-25(32)15-7-9-22-17(11-15)20(13-29-22)28(19-5-3-4-6-24(19)31-27(28)34)21-14-30-23-10-8-16(12-18(21)23)26(33)36-2/h3-14,29-30H,1-2H3,(H,31,34)
InChIKeyDVLOUXVTIFPEAN-UHFFFAOYSA-N
MW479.49 g/mol
LogP4.51
Rot. Bonds4

About methyl 3-[3-(5-methoxycarbonyl-1H-indol-3-yl)-2-oxo-1H-indol-3-yl]-1H-indole-5-carboxylate

methyl 3-[3-(5-methoxycarbonyl-1H-indol-3-yl)-2-oxo-1H-indol-3-yl]-1H-indole-5-carboxylate (PubChem CID 70687381) has the molecular formula C28H21N3O5 and a molecular weight of 479.49 g/mol. Its IUPAC name is methyl 3-[3-(5-methoxycarbonyl-1H-indol-3-yl)-2-oxo-1H-indol-3-yl]-1H-indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[3-(5-methoxycarbonyl-1H-indol-3-yl)-2-oxo-1H-indol-3-yl]-1H-indole-5-carboxylate
PubChem CID70687381
Molecular FormulaC28H21N3O5
Molecular Weight479.49 g/mol
Exact Mass479.15
IUPAC Namemethyl 3-[3-(5-methoxycarbonyl-1H-indol-3-yl)-2-oxo-1H-indol-3-yl]-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]cc(C3(c4c[nH]c5ccc(C(=O)OC)cc45)C(=O)Nc4ccccc43)c2c1
InChIInChI=1S/C28H21N3O5/c1-35-25(32)15-7-9-22-17(11-15)20(13-29-22)28(19-5-3-4-6-24(19)31-27(28)34)21-14-30-23-10-8-16(12-18(21)23)26(33)36-2/h3-14,29-30H,1-2H3,(H,31,34)
InChIKeyDVLOUXVTIFPEAN-UHFFFAOYSA-N
XLogP4.51
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 3-[3-(5-methoxycarbonyl-1H-indol-3-yl)-2-oxo-1H-indol-3-yl]-1H-indole-5-carboxylate 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 methyl 3-[3-(5-methoxycarbonyl-1H-indol-3-yl)-2-oxo-1H-indol-3-yl]-1H-indole-5-carboxylate?
The IUPAC name of methyl 3-[3-(5-methoxycarbonyl-1H-indol-3-yl)-2-oxo-1H-indol-3-yl]-1H-indole-5-carboxylate (CID 70687381) is methyl 3-[3-(5-methoxycarbonyl-1H-indol-3-yl)-2-oxo-1H-indol-3-yl]-1H-indole-5-carboxylate.
What is the SMILES notation for methyl 3-[3-(5-methoxycarbonyl-1H-indol-3-yl)-2-oxo-1H-indol-3-yl]-1H-indole-5-carboxylate?
The canonical SMILES for methyl 3-[3-(5-methoxycarbonyl-1H-indol-3-yl)-2-oxo-1H-indol-3-yl]-1H-indole-5-carboxylate is COC(=O)c1ccc2[nH]cc(C3(c4c[nH]c5ccc(C(=O)OC)cc45)C(=O)Nc4ccccc43)c2c1.
What is the InChIKey of methyl 3-[3-(5-methoxycarbonyl-1H-indol-3-yl)-2-oxo-1H-indol-3-yl]-1H-indole-5-carboxylate?
The InChIKey is DVLOUXVTIFPEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O5/c1-35-25(32)15-7-9-22-17(11-15)20(13-29-22)28(19-5-3-4-6-24(19)31-27(28)34)21-14-30-23-10-8-16(12-18(21)23)26(33)36-2/h3-14,29-30H,1-2H3,(H,31,34).
What are the key properties of methyl 3-[3-(5-methoxycarbonyl-1H-indol-3-yl)-2-oxo-1H-indol-3-yl]-1H-indole-5-carboxylate?
methyl 3-[3-(5-methoxycarbonyl-1H-indol-3-yl)-2-oxo-1H-indol-3-yl]-1H-indole-5-carboxylate has a molecular weight of 479.49 g/mol, XLogP of 4.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(5-methoxycarbonyl-1H-indol-3-yl)-2-oxo-1H-indol-3-yl]-1H-indole-5-carboxylate is sourced from PubChem (CID 70687381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).