2-[2-(1H-indol-3-yl)ethyl]-7-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C24H23N5O3 — CID 121240671

IUPAC2-[2-(1H-indol-3-yl)ethyl]-7-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3nc(CCc4c[nH]c5ccccc45)nn23)c(OC)c1OC
InChIInChI=1S/C24H23N5O3/c1-30-20-10-9-17(22(31-2)23(20)32-3)19-12-13-25-24-27-21(28-29(19)24)11-8-15-14-26-18-7-5-4-6-16(15)18/h4-7,9-10,12-14,26H,8,11H2,1-3H3
InChIKeyCSKPYKXFAPOSRI-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.08
Rot. Bonds7

About 2-[2-(1H-indol-3-yl)ethyl]-7-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

2-[2-(1H-indol-3-yl)ethyl]-7-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 121240671) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethyl]-7-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethyl]-7-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID121240671
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name2-[2-(1H-indol-3-yl)ethyl]-7-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3nc(CCc4c[nH]c5ccccc45)nn23)c(OC)c1OC
InChIInChI=1S/C24H23N5O3/c1-30-20-10-9-17(22(31-2)23(20)32-3)19-12-13-25-24-27-21(28-29(19)24)11-8-15-14-26-18-7-5-4-6-16(15)18/h4-7,9-10,12-14,26H,8,11H2,1-3H3
InChIKeyCSKPYKXFAPOSRI-UHFFFAOYSA-N
XLogP4.08
TPSA86.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-(1H-indol-3-yl)ethyl]-7-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 2248968
N-[2-(1H-indol-3-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2109632
7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 162667633
2-(2-cyclopentylethyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71707129
2-(1H-indol-3-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135637531
3-[2-[5-(2-methoxyphenyl)-3-propan-2-ylpyrazol-1-yl]ethyl]-1H-indole
CID 155211510
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895017
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894903
7-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 47001166
3-(1H-indol-3-yl)-2-(2,3,4-trimethoxyphenyl)propan-1-amine
CID 83975126
3-[2-(2-chloropyrimidin-4-yl)ethyl]-1H-indole
CID 11253902
2-[2-(1H-indol-3-yl)ethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine
CID 175974305

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-7-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-7-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 121240671) is 2-[2-(1H-indol-3-yl)ethyl]-7-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethyl]-7-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethyl]-7-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(-c2ccnc3nc(CCc4c[nH]c5ccccc45)nn23)c(OC)c1OC.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethyl]-7-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CSKPYKXFAPOSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-30-20-10-9-17(22(31-2)23(20)32-3)19-12-13-25-24-27-21(28-29(19)24)11-8-15-14-26-18-7-5-4-6-16(15)18/h4-7,9-10,12-14,26H,8,11H2,1-3H3.
What are the key properties of 2-[2-(1H-indol-3-yl)ethyl]-7-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
2-[2-(1H-indol-3-yl)ethyl]-7-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 429.48 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethyl]-7-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 121240671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).