3-[1-(2-methoxyethyl)indol-3-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C20H26N4O2 — CID 71701281

IUPAC3-[1-(2-methoxyethyl)indol-3-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOCCn1cc(CCC(=O)Nc2c(C)nn(C)c2C)c2ccccc21
InChIInChI=1S/C20H26N4O2/c1-14-20(15(2)23(3)22-14)21-19(25)10-9-16-13-24(11-12-26-4)18-8-6-5-7-17(16)18/h5-8,13H,9-12H2,1-4H3,(H,21,25)
InChIKeyILRYESOPFGTMQQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.21
Rot. Bonds7

About 3-[1-(2-methoxyethyl)indol-3-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

3-[1-(2-methoxyethyl)indol-3-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 71701281) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[1-(2-methoxyethyl)indol-3-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-[1-(2-methoxyethyl)indol-3-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID71701281
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-[1-(2-methoxyethyl)indol-3-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOCCn1cc(CCC(=O)Nc2c(C)nn(C)c2C)c2ccccc21
InChIInChI=1S/C20H26N4O2/c1-14-20(15(2)23(3)22-14)21-19(25)10-9-16-13-24(11-12-26-4)18-8-6-5-7-17(16)18/h5-8,13H,9-12H2,1-4H3,(H,21,25)
InChIKeyILRYESOPFGTMQQ-UHFFFAOYSA-N
XLogP3.21
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(2-methoxyethyl)indol-3-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide 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 3-[1-(2-methoxyethyl)indol-3-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 3-[1-(2-methoxyethyl)indol-3-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 71701281) is 3-[1-(2-methoxyethyl)indol-3-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 3-[1-(2-methoxyethyl)indol-3-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 3-[1-(2-methoxyethyl)indol-3-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is COCCn1cc(CCC(=O)Nc2c(C)nn(C)c2C)c2ccccc21.
What is the InChIKey of 3-[1-(2-methoxyethyl)indol-3-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is ILRYESOPFGTMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-20(15(2)23(3)22-14)21-19(25)10-9-16-13-24(11-12-26-4)18-8-6-5-7-17(16)18/h5-8,13H,9-12H2,1-4H3,(H,21,25).
What are the key properties of 3-[1-(2-methoxyethyl)indol-3-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
3-[1-(2-methoxyethyl)indol-3-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 354.45 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethyl)indol-3-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 71701281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).