ethyl 1-(cyclohexylmethyl)-5-pyridin-4-ylindole-2-carboxylate

C23H26N2O2 — CID 166175724

IUPACethyl 1-(cyclohexylmethyl)-5-pyridin-4-ylindole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(-c3ccncc3)ccc2n1CC1CCCCC1
InChIInChI=1S/C23H26N2O2/c1-2-27-23(26)22-15-20-14-19(18-10-12-24-13-11-18)8-9-21(20)25(22)16-17-6-4-3-5-7-17/h8-15,17H,2-7,16H2,1H3
InChIKeyNNPMKHYWTMMCKN-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.46
Rot. Bonds5

About ethyl 1-(cyclohexylmethyl)-5-pyridin-4-ylindole-2-carboxylate

ethyl 1-(cyclohexylmethyl)-5-pyridin-4-ylindole-2-carboxylate (PubChem CID 166175724) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is ethyl 1-(cyclohexylmethyl)-5-pyridin-4-ylindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclohexylmethyl)-5-pyridin-4-ylindole-2-carboxylate
PubChem CID166175724
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Nameethyl 1-(cyclohexylmethyl)-5-pyridin-4-ylindole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(-c3ccncc3)ccc2n1CC1CCCCC1
InChIInChI=1S/C23H26N2O2/c1-2-27-23(26)22-15-20-14-19(18-10-12-24-13-11-18)8-9-21(20)25(22)16-17-6-4-3-5-7-17/h8-15,17H,2-7,16H2,1H3
InChIKeyNNPMKHYWTMMCKN-UHFFFAOYSA-N
XLogP5.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(cyclohexylmethyl)-5-pyridin-4-ylindole-2-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-(cyclohexylmethyl)-5-pyridin-4-ylindole-2-carboxylate?
The IUPAC name of ethyl 1-(cyclohexylmethyl)-5-pyridin-4-ylindole-2-carboxylate (CID 166175724) is ethyl 1-(cyclohexylmethyl)-5-pyridin-4-ylindole-2-carboxylate.
What is the SMILES notation for ethyl 1-(cyclohexylmethyl)-5-pyridin-4-ylindole-2-carboxylate?
The canonical SMILES for ethyl 1-(cyclohexylmethyl)-5-pyridin-4-ylindole-2-carboxylate is CCOC(=O)c1cc2cc(-c3ccncc3)ccc2n1CC1CCCCC1.
What is the InChIKey of ethyl 1-(cyclohexylmethyl)-5-pyridin-4-ylindole-2-carboxylate?
The InChIKey is NNPMKHYWTMMCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-2-27-23(26)22-15-20-14-19(18-10-12-24-13-11-18)8-9-21(20)25(22)16-17-6-4-3-5-7-17/h8-15,17H,2-7,16H2,1H3.
What are the key properties of ethyl 1-(cyclohexylmethyl)-5-pyridin-4-ylindole-2-carboxylate?
ethyl 1-(cyclohexylmethyl)-5-pyridin-4-ylindole-2-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclohexylmethyl)-5-pyridin-4-ylindole-2-carboxylate is sourced from PubChem (CID 166175724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).