ethyl 1-[2-[5-ethoxycarbonyl-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridine-5-carboxylate

C34H38N4O4 — CID 6609983

IUPACethyl 1-[2-[5-ethoxycarbonyl-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=CCC(c2cc3ccccc3[nH]2)N(CCN2CC(C(=O)OCC)=CCC2c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C34H38N4O4/c1-3-41-33(39)25-13-15-31(29-19-23-9-5-7-11-27(23)35-29)37(21-25)17-18-38-22-26(34(40)42-4-2)14-16-32(38)30-20-24-10-6-8-12-28(24)36-30/h5-14,19-20,31-32,35-36H,3-4,15-18,21-22H2,1-2H3
InChIKeyGDEZIJJYLCECAN-UHFFFAOYSA-N
MW566.70 g/mol
LogP5.82
Rot. Bonds9

About ethyl 1-[2-[5-ethoxycarbonyl-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridine-5-carboxylate

ethyl 1-[2-[5-ethoxycarbonyl-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 6609983) has the molecular formula C34H38N4O4 and a molecular weight of 566.70 g/mol. Its IUPAC name is ethyl 1-[2-[5-ethoxycarbonyl-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[5-ethoxycarbonyl-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID6609983
Molecular FormulaC34H38N4O4
Molecular Weight566.70 g/mol
Exact Mass566.29
IUPAC Nameethyl 1-[2-[5-ethoxycarbonyl-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=CCC(c2cc3ccccc3[nH]2)N(CCN2CC(C(=O)OCC)=CCC2c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C34H38N4O4/c1-3-41-33(39)25-13-15-31(29-19-23-9-5-7-11-27(23)35-29)37(21-25)17-18-38-22-26(34(40)42-4-2)14-16-32(38)30-20-24-10-6-8-12-28(24)36-30/h5-14,19-20,31-32,35-36H,3-4,15-18,21-22H2,1-2H3
InChIKeyGDEZIJJYLCECAN-UHFFFAOYSA-N
XLogP5.82
TPSA90.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.70
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-[5-ethoxycarbonyl-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridine-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 ethyl 1-[2-[5-ethoxycarbonyl-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl 1-[2-[5-ethoxycarbonyl-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridine-5-carboxylate (CID 6609983) is ethyl 1-[2-[5-ethoxycarbonyl-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-[2-[5-ethoxycarbonyl-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-[2-[5-ethoxycarbonyl-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridine-5-carboxylate is CCOC(=O)C1=CCC(c2cc3ccccc3[nH]2)N(CCN2CC(C(=O)OCC)=CCC2c2cc3ccccc3[nH]2)C1.
What is the InChIKey of ethyl 1-[2-[5-ethoxycarbonyl-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is GDEZIJJYLCECAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4O4/c1-3-41-33(39)25-13-15-31(29-19-23-9-5-7-11-27(23)35-29)37(21-25)17-18-38-22-26(34(40)42-4-2)14-16-32(38)30-20-24-10-6-8-12-28(24)36-30/h5-14,19-20,31-32,35-36H,3-4,15-18,21-22H2,1-2H3.
What are the key properties of ethyl 1-[2-[5-ethoxycarbonyl-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridine-5-carboxylate?
ethyl 1-[2-[5-ethoxycarbonyl-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 566.70 g/mol, XLogP of 5.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[5-ethoxycarbonyl-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-(1H-indol-2-yl)-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 6609983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).