3-(2-pyrrolidin-1-ylethyl)-5-[2-(4-pyrrol-1-ylphenyl)ethynyl]-1H-indole

C26H25N3 — CID 67598982

IUPAC3-(2-pyrrolidin-1-ylethyl)-5-[2-(4-pyrrol-1-ylphenyl)ethynyl]-1H-indole
SMILESC(#Cc1ccc2[nH]cc(CCN3CCCC3)c2c1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C26H25N3/c1-2-15-28(14-1)18-13-23-20-27-26-12-9-22(19-25(23)26)6-5-21-7-10-24(11-8-21)29-16-3-4-17-29/h3-4,7-12,16-17,19-20,27H,1-2,13-15,18H2
InChIKeyUQXCHTCJYITPFB-UHFFFAOYSA-N
MW379.51 g/mol
LogP5.00
Rot. Bonds4

About 3-(2-pyrrolidin-1-ylethyl)-5-[2-(4-pyrrol-1-ylphenyl)ethynyl]-1H-indole

3-(2-pyrrolidin-1-ylethyl)-5-[2-(4-pyrrol-1-ylphenyl)ethynyl]-1H-indole (PubChem CID 67598982) has the molecular formula C26H25N3 and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-(2-pyrrolidin-1-ylethyl)-5-[2-(4-pyrrol-1-ylphenyl)ethynyl]-1H-indole.

Molecular Properties

Compound Name3-(2-pyrrolidin-1-ylethyl)-5-[2-(4-pyrrol-1-ylphenyl)ethynyl]-1H-indole
PubChem CID67598982
Molecular FormulaC26H25N3
Molecular Weight379.51 g/mol
Exact Mass379.20
IUPAC Name3-(2-pyrrolidin-1-ylethyl)-5-[2-(4-pyrrol-1-ylphenyl)ethynyl]-1H-indole
SMILESC(#Cc1ccc2[nH]cc(CCN3CCCC3)c2c1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C26H25N3/c1-2-15-28(14-1)18-13-23-20-27-26-12-9-22(19-25(23)26)6-5-21-7-10-24(11-8-21)29-16-3-4-17-29/h3-4,7-12,16-17,19-20,27H,1-2,13-15,18H2
InChIKeyUQXCHTCJYITPFB-UHFFFAOYSA-N
XLogP5.00
TPSA23.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-ethynyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 15838488
3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile
CID 170277645
3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 58656074
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
4-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]benzonitrile
CID 18975330
tert-butyl-dimethyl-[[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]oxy]silane
CID 174163040
3-[2-[4-(1-benzofuran-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 19438845
5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277470
[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl] propanoate
CID 169222165
4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine
CID 19426661
3-[2-[4-[4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 118191017
5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277469

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-1-ylethyl)-5-[2-(4-pyrrol-1-ylphenyl)ethynyl]-1H-indole?
The IUPAC name of 3-(2-pyrrolidin-1-ylethyl)-5-[2-(4-pyrrol-1-ylphenyl)ethynyl]-1H-indole (CID 67598982) is 3-(2-pyrrolidin-1-ylethyl)-5-[2-(4-pyrrol-1-ylphenyl)ethynyl]-1H-indole.
What is the SMILES notation for 3-(2-pyrrolidin-1-ylethyl)-5-[2-(4-pyrrol-1-ylphenyl)ethynyl]-1H-indole?
The canonical SMILES for 3-(2-pyrrolidin-1-ylethyl)-5-[2-(4-pyrrol-1-ylphenyl)ethynyl]-1H-indole is C(#Cc1ccc2[nH]cc(CCN3CCCC3)c2c1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of 3-(2-pyrrolidin-1-ylethyl)-5-[2-(4-pyrrol-1-ylphenyl)ethynyl]-1H-indole?
The InChIKey is UQXCHTCJYITPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3/c1-2-15-28(14-1)18-13-23-20-27-26-12-9-22(19-25(23)26)6-5-21-7-10-24(11-8-21)29-16-3-4-17-29/h3-4,7-12,16-17,19-20,27H,1-2,13-15,18H2.
What are the key properties of 3-(2-pyrrolidin-1-ylethyl)-5-[2-(4-pyrrol-1-ylphenyl)ethynyl]-1H-indole?
3-(2-pyrrolidin-1-ylethyl)-5-[2-(4-pyrrol-1-ylphenyl)ethynyl]-1H-indole has a molecular weight of 379.51 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-1-ylethyl)-5-[2-(4-pyrrol-1-ylphenyl)ethynyl]-1H-indole is sourced from PubChem (CID 67598982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).