methyl 5-[[3-[(3-methoxycarbonyl-1H-indol-5-yl)amino]-3-oxopropanoyl]amino]-1H-indole-3-carboxylate

C23H20N4O6 — CID 71513779

IUPACmethyl 5-[[3-[(3-methoxycarbonyl-1H-indol-5-yl)amino]-3-oxopropanoyl]amino]-1H-indole-3-carboxylate
SMILESCOC(=O)c1c[nH]c2ccc(NC(=O)CC(=O)Nc3ccc4[nH]cc(C(=O)OC)c4c3)cc12
InChIInChI=1S/C23H20N4O6/c1-32-22(30)16-10-24-18-5-3-12(7-14(16)18)26-20(28)9-21(29)27-13-4-6-19-15(8-13)17(11-25-19)23(31)33-2/h3-8,10-11,24-25H,9H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyUPRMQSGAWIRNLR-UHFFFAOYSA-N
MW448.44 g/mol
LogP3.19
Rot. Bonds6

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

methyl 5-[[3-[(3-methoxycarbonyl-1H-indol-5-yl)amino]-3-oxopropanoyl]amino]-1H-indole-3-carboxylate (PubChem CID 71513779) has the molecular formula C23H20N4O6 and a molecular weight of 448.44 g/mol. Its IUPAC name is methyl 5-[[3-[(3-methoxycarbonyl-1H-indol-5-yl)amino]-3-oxopropanoyl]amino]-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3-[(3-methoxycarbonyl-1H-indol-5-yl)amino]-3-oxopropanoyl]amino]-1H-indole-3-carboxylate
PubChem CID71513779
Molecular FormulaC23H20N4O6
Molecular Weight448.44 g/mol
Exact Mass448.14
IUPAC Namemethyl 5-[[3-[(3-methoxycarbonyl-1H-indol-5-yl)amino]-3-oxopropanoyl]amino]-1H-indole-3-carboxylate
SMILESCOC(=O)c1c[nH]c2ccc(NC(=O)CC(=O)Nc3ccc4[nH]cc(C(=O)OC)c4c3)cc12
InChIInChI=1S/C23H20N4O6/c1-32-22(30)16-10-24-18-5-3-12(7-14(16)18)26-20(28)9-21(29)27-13-4-6-19-15(8-13)17(11-25-19)23(31)33-2/h3-8,10-11,24-25H,9H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyUPRMQSGAWIRNLR-UHFFFAOYSA-N
XLogP3.19
TPSA142.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.44
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl 5-[[3-[(3-methoxycarbonyl-1H-indol-5-yl)amino]-3-oxopropanoyl]amino]-1H-indole-3-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 5-[[3-[(3-methoxycarbonyl-1H-indol-5-yl)amino]-3-oxopropanoyl]amino]-1H-indole-3-carboxylate?
The IUPAC name of methyl 5-[[3-[(3-methoxycarbonyl-1H-indol-5-yl)amino]-3-oxopropanoyl]amino]-1H-indole-3-carboxylate (CID 71513779) is methyl 5-[[3-[(3-methoxycarbonyl-1H-indol-5-yl)amino]-3-oxopropanoyl]amino]-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 5-[[3-[(3-methoxycarbonyl-1H-indol-5-yl)amino]-3-oxopropanoyl]amino]-1H-indole-3-carboxylate?
The canonical SMILES for methyl 5-[[3-[(3-methoxycarbonyl-1H-indol-5-yl)amino]-3-oxopropanoyl]amino]-1H-indole-3-carboxylate is COC(=O)c1c[nH]c2ccc(NC(=O)CC(=O)Nc3ccc4[nH]cc(C(=O)OC)c4c3)cc12.
What is the InChIKey of methyl 5-[[3-[(3-methoxycarbonyl-1H-indol-5-yl)amino]-3-oxopropanoyl]amino]-1H-indole-3-carboxylate?
The InChIKey is UPRMQSGAWIRNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O6/c1-32-22(30)16-10-24-18-5-3-12(7-14(16)18)26-20(28)9-21(29)27-13-4-6-19-15(8-13)17(11-25-19)23(31)33-2/h3-8,10-11,24-25H,9H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of methyl 5-[[3-[(3-methoxycarbonyl-1H-indol-5-yl)amino]-3-oxopropanoyl]amino]-1H-indole-3-carboxylate?
methyl 5-[[3-[(3-methoxycarbonyl-1H-indol-5-yl)amino]-3-oxopropanoyl]amino]-1H-indole-3-carboxylate has a molecular weight of 448.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-[(3-methoxycarbonyl-1H-indol-5-yl)amino]-3-oxopropanoyl]amino]-1H-indole-3-carboxylate is sourced from PubChem (CID 71513779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).