2-(2-chloro-4-pyridinyl)-3-ethyl-5-piperidin-4-yl-1H-indole

C20H22ClN3 — CID 134329684

IUPAC2-(2-chloro-4-pyridinyl)-3-ethyl-5-piperidin-4-yl-1H-indole
SMILESCCc1c(-c2ccnc(Cl)c2)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C20H22ClN3/c1-2-16-17-11-14(13-5-8-22-9-6-13)3-4-18(17)24-20(16)15-7-10-23-19(21)12-15/h3-4,7,10-13,22,24H,2,5-6,8-9H2,1H3
InChIKeyJRNKBGXNCKBIRT-UHFFFAOYSA-N
MW339.87 g/mol
LogP4.91
Rot. Bonds3

About 2-(2-chloro-4-pyridinyl)-3-ethyl-5-piperidin-4-yl-1H-indole

2-(2-chloro-4-pyridinyl)-3-ethyl-5-piperidin-4-yl-1H-indole (PubChem CID 134329684) has the molecular formula C20H22ClN3 and a molecular weight of 339.87 g/mol. Its IUPAC name is 2-(2-chloro-4-pyridinyl)-3-ethyl-5-piperidin-4-yl-1H-indole.

Molecular Properties

Compound Name2-(2-chloro-4-pyridinyl)-3-ethyl-5-piperidin-4-yl-1H-indole
PubChem CID134329684
Molecular FormulaC20H22ClN3
Molecular Weight339.87 g/mol
Exact Mass339.15
IUPAC Name2-(2-chloro-4-pyridinyl)-3-ethyl-5-piperidin-4-yl-1H-indole
SMILESCCc1c(-c2ccnc(Cl)c2)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C20H22ClN3/c1-2-16-17-11-14(13-5-8-22-9-6-13)3-4-18(17)24-20(16)15-7-10-23-19(21)12-15/h3-4,7,10-13,22,24H,2,5-6,8-9H2,1H3
InChIKeyJRNKBGXNCKBIRT-UHFFFAOYSA-N
XLogP4.91
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(2-chloro-4-pyridinyl)-3-ethyl-5-piperidin-4-yl-1H-indole 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 2-(2-chloro-4-pyridinyl)-3-ethyl-5-piperidin-4-yl-1H-indole?
The IUPAC name of 2-(2-chloro-4-pyridinyl)-3-ethyl-5-piperidin-4-yl-1H-indole (CID 134329684) is 2-(2-chloro-4-pyridinyl)-3-ethyl-5-piperidin-4-yl-1H-indole.
What is the SMILES notation for 2-(2-chloro-4-pyridinyl)-3-ethyl-5-piperidin-4-yl-1H-indole?
The canonical SMILES for 2-(2-chloro-4-pyridinyl)-3-ethyl-5-piperidin-4-yl-1H-indole is CCc1c(-c2ccnc(Cl)c2)[nH]c2ccc(C3CCNCC3)cc12.
What is the InChIKey of 2-(2-chloro-4-pyridinyl)-3-ethyl-5-piperidin-4-yl-1H-indole?
The InChIKey is JRNKBGXNCKBIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3/c1-2-16-17-11-14(13-5-8-22-9-6-13)3-4-18(17)24-20(16)15-7-10-23-19(21)12-15/h3-4,7,10-13,22,24H,2,5-6,8-9H2,1H3.
What are the key properties of 2-(2-chloro-4-pyridinyl)-3-ethyl-5-piperidin-4-yl-1H-indole?
2-(2-chloro-4-pyridinyl)-3-ethyl-5-piperidin-4-yl-1H-indole has a molecular weight of 339.87 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyridinyl)-3-ethyl-5-piperidin-4-yl-1H-indole is sourced from PubChem (CID 134329684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).