4-[2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethyl]morpholine

C23H23N3OS — CID 5329364

IUPAC4-[2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethyl]morpholine
SMILESc1ccc2c(c1)c(-c1cncc(-c3ccsc3)c1)cn2CCN1CCOCC1
InChIInChI=1S/C23H23N3OS/c1-2-4-23-21(3-1)22(16-26(23)7-6-25-8-10-27-11-9-25)20-13-19(14-24-15-20)18-5-12-28-17-18/h1-5,12-17H,6-11H2
InChIKeyJIMGURDGSPNGPQ-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.76
Rot. Bonds5

About 4-[2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethyl]morpholine

4-[2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethyl]morpholine (PubChem CID 5329364) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-[2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethyl]morpholine
PubChem CID5329364
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC Name4-[2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethyl]morpholine
SMILESc1ccc2c(c1)c(-c1cncc(-c3ccsc3)c1)cn2CCN1CCOCC1
InChIInChI=1S/C23H23N3OS/c1-2-4-23-21(3-1)22(16-26(23)7-6-25-8-10-27-11-9-25)20-13-19(14-24-15-20)18-5-12-28-17-18/h1-5,12-17H,6-11H2
InChIKeyJIMGURDGSPNGPQ-UHFFFAOYSA-N
XLogP4.76
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethyl]morpholine (CID 5329364) is 4-[2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethyl]morpholine is c1ccc2c(c1)c(-c1cncc(-c3ccsc3)c1)cn2CCN1CCOCC1.
What is the InChIKey of 4-[2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethyl]morpholine?
The InChIKey is JIMGURDGSPNGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS/c1-2-4-23-21(3-1)22(16-26(23)7-6-25-8-10-27-11-9-25)20-13-19(14-24-15-20)18-5-12-28-17-18/h1-5,12-17H,6-11H2.
What are the key properties of 4-[2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethyl]morpholine?
4-[2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethyl]morpholine has a molecular weight of 389.52 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethyl]morpholine is sourced from PubChem (CID 5329364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).