2-(5-chloro-3-ethyl-2-propylindol-1-yl)-1-pyridin-3-ylethanol

C20H23ClN2O — CID 143798780

IUPAC2-(5-chloro-3-ethyl-2-propylindol-1-yl)-1-pyridin-3-ylethanol
SMILESCCCc1c(CC)c2cc(Cl)ccc2n1CC(O)c1cccnc1
InChIInChI=1S/C20H23ClN2O/c1-3-6-18-16(4-2)17-11-15(21)8-9-19(17)23(18)13-20(24)14-7-5-10-22-12-14/h5,7-12,20,24H,3-4,6,13H2,1-2H3
InChIKeyWDNHMCNSJJSFOU-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.94
Rot. Bonds6

About 2-(5-chloro-3-ethyl-2-propylindol-1-yl)-1-pyridin-3-ylethanol

2-(5-chloro-3-ethyl-2-propylindol-1-yl)-1-pyridin-3-ylethanol (PubChem CID 143798780) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-(5-chloro-3-ethyl-2-propylindol-1-yl)-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-(5-chloro-3-ethyl-2-propylindol-1-yl)-1-pyridin-3-ylethanol
PubChem CID143798780
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name2-(5-chloro-3-ethyl-2-propylindol-1-yl)-1-pyridin-3-ylethanol
SMILESCCCc1c(CC)c2cc(Cl)ccc2n1CC(O)c1cccnc1
InChIInChI=1S/C20H23ClN2O/c1-3-6-18-16(4-2)17-11-15(21)8-9-19(17)23(18)13-20(24)14-7-5-10-22-12-14/h5,7-12,20,24H,3-4,6,13H2,1-2H3
InChIKeyWDNHMCNSJJSFOU-UHFFFAOYSA-N
XLogP4.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-ethyl-2-propylindol-1-yl)-1-pyridin-3-ylethanol?
The IUPAC name of 2-(5-chloro-3-ethyl-2-propylindol-1-yl)-1-pyridin-3-ylethanol (CID 143798780) is 2-(5-chloro-3-ethyl-2-propylindol-1-yl)-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-(5-chloro-3-ethyl-2-propylindol-1-yl)-1-pyridin-3-ylethanol?
The canonical SMILES for 2-(5-chloro-3-ethyl-2-propylindol-1-yl)-1-pyridin-3-ylethanol is CCCc1c(CC)c2cc(Cl)ccc2n1CC(O)c1cccnc1.
What is the InChIKey of 2-(5-chloro-3-ethyl-2-propylindol-1-yl)-1-pyridin-3-ylethanol?
The InChIKey is WDNHMCNSJJSFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-3-6-18-16(4-2)17-11-15(21)8-9-19(17)23(18)13-20(24)14-7-5-10-22-12-14/h5,7-12,20,24H,3-4,6,13H2,1-2H3.
What are the key properties of 2-(5-chloro-3-ethyl-2-propylindol-1-yl)-1-pyridin-3-ylethanol?
2-(5-chloro-3-ethyl-2-propylindol-1-yl)-1-pyridin-3-ylethanol has a molecular weight of 342.87 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-ethyl-2-propylindol-1-yl)-1-pyridin-3-ylethanol is sourced from PubChem (CID 143798780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).