diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate

C28H27N3O5 — CID 123633998

IUPACdiethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
SMILESCCOC(=O)c1ccc2[nH]c3c(O[C@H]4CCNC4)c4[nH]c5ccc(C(=O)OCC)cc5c4cc3c2c1
InChIInChI=1S/C28H27N3O5/c1-3-34-27(32)15-5-7-22-18(11-15)20-13-21-19-12-16(28(33)35-4-2)6-8-23(19)31-25(21)26(24(20)30-22)36-17-9-10-29-14-17/h5-8,11-13,17,29-31H,3-4,9-10,14H2,1-2H3/t17-/m0/s1
InChIKeyJWQAYHHEHYYESK-KRWDZBQOSA-N
MW485.54 g/mol
LogP5.05
Rot. Bonds6

About diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate

diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate (PubChem CID 123633998) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate.

Molecular Properties

Compound Namediethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
PubChem CID123633998
Molecular FormulaC28H27N3O5
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC Namediethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
SMILESCCOC(=O)c1ccc2[nH]c3c(O[C@H]4CCNC4)c4[nH]c5ccc(C(=O)OCC)cc5c4cc3c2c1
InChIInChI=1S/C28H27N3O5/c1-3-34-27(32)15-5-7-22-18(11-15)20-13-21-19-12-16(28(33)35-4-2)6-8-23(19)31-25(21)26(24(20)30-22)36-17-9-10-29-14-17/h5-8,11-13,17,29-31H,3-4,9-10,14H2,1-2H3/t17-/m0/s1
InChIKeyJWQAYHHEHYYESK-KRWDZBQOSA-N
XLogP5.05
TPSA105.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.54
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
CID 22025388
ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate
CID 165353814
diethyl 6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2-[(2,10-difluoro-12-nitro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine;ethyl 10-acetyl-12-chloro-6-[2-(dimethylamino)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate;hydrochloride
CID 162230077
ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
CID 7453721
ethyl 4-pyrrolidin-3-ylbenzoate
CID 116988515
ethyl 5-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 23765459
6-ethoxycarbonyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 21452698
ethyl 2-cyclopropyl-1H-indole-5-carboxylate
CID 155891220
ethyl (8R)-8-cyano-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 26342306
ethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate
CID 135017692
acetaldehyde;ethyl 4-methyl-3-pyrrolidin-3-ylbenzoate
CID 170733767
ethyl 3-methylsulfinyl-1H-indole-5-carboxylate
CID 70624739

Frequently Asked Questions

What is the IUPAC name of diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate?
The IUPAC name of diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate (CID 123633998) is diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate.
What is the SMILES notation for diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate?
The canonical SMILES for diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate is CCOC(=O)c1ccc2[nH]c3c(O[C@H]4CCNC4)c4[nH]c5ccc(C(=O)OCC)cc5c4cc3c2c1.
What is the InChIKey of diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate?
The InChIKey is JWQAYHHEHYYESK-KRWDZBQOSA-N. The full InChI is InChI=1S/C28H27N3O5/c1-3-34-27(32)15-5-7-22-18(11-15)20-13-21-19-12-16(28(33)35-4-2)6-8-23(19)31-25(21)26(24(20)30-22)36-17-9-10-29-14-17/h5-8,11-13,17,29-31H,3-4,9-10,14H2,1-2H3/t17-/m0/s1.
What are the key properties of diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate?
diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate has a molecular weight of 485.54 g/mol, XLogP of 5.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate is sourced from PubChem (CID 123633998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).