[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1H-indazole-3-carboxylate

C20H17N3O3 — CID 7649508

IUPAC[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCCc1cccc2c(C(=O)COC(=O)c3n[nH]c4ccccc34)c[nH]c12
InChIInChI=1S/C20H17N3O3/c1-2-12-6-5-8-13-15(10-21-18(12)13)17(24)11-26-20(25)19-14-7-3-4-9-16(14)22-23-19/h3-10,21H,2,11H2,1H3,(H,22,23)
InChIKeyMXOPXZIPJMLWNB-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.65
Rot. Bonds5

About [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1H-indazole-3-carboxylate

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 7649508) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID7649508
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCCc1cccc2c(C(=O)COC(=O)c3n[nH]c4ccccc34)c[nH]c12
InChIInChI=1S/C20H17N3O3/c1-2-12-6-5-8-13-15(10-21-18(12)13)17(24)11-26-20(25)19-14-7-3-4-9-16(14)22-23-19/h3-10,21H,2,11H2,1H3,(H,22,23)
InChIKeyMXOPXZIPJMLWNB-UHFFFAOYSA-N
XLogP3.65
TPSA87.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1H-indazole-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

Related Compounds

4-O-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239576
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate
CID 7765173
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 8015249
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate
CID 7483516
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2128394
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 8015250
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-formylbenzoate
CID 7669451
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-carbamoylpyridine-2-carboxylate
CID 166376118
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659172
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-nitrobenzoate
CID 7859423
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7873308
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 8002292

Frequently Asked Questions

What is the IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1H-indazole-3-carboxylate (CID 7649508) is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1H-indazole-3-carboxylate is CCc1cccc2c(C(=O)COC(=O)c3n[nH]c4ccccc34)c[nH]c12.
What is the InChIKey of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is MXOPXZIPJMLWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-2-12-6-5-8-13-15(10-21-18(12)13)17(24)11-26-20(25)19-14-7-3-4-9-16(14)22-23-19/h3-10,21H,2,11H2,1H3,(H,22,23).
What are the key properties of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 7649508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).