3-(5-methoxyindol-1-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide

C17H21N5O2 — CID 71703790

IUPAC3-(5-methoxyindol-1-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCOc1ccc2c(ccn2CCC(=O)Nc2n[nH]c(C(C)C)n2)c1
InChIInChI=1S/C17H21N5O2/c1-11(2)16-19-17(21-20-16)18-15(23)7-9-22-8-6-12-10-13(24-3)4-5-14(12)22/h4-6,8,10-11H,7,9H2,1-3H3,(H2,18,19,20,21,23)
InChIKeyPYKJMYCUUCSEOB-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.92
Rot. Bonds6

About 3-(5-methoxyindol-1-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide

3-(5-methoxyindol-1-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 71703790) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-(5-methoxyindol-1-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(5-methoxyindol-1-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID71703790
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name3-(5-methoxyindol-1-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCOc1ccc2c(ccn2CCC(=O)Nc2n[nH]c(C(C)C)n2)c1
InChIInChI=1S/C17H21N5O2/c1-11(2)16-19-17(21-20-16)18-15(23)7-9-22-8-6-12-10-13(24-3)4-5-14(12)22/h4-6,8,10-11H,7,9H2,1-3H3,(H2,18,19,20,21,23)
InChIKeyPYKJMYCUUCSEOB-UHFFFAOYSA-N
XLogP2.92
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(5-methoxyindol-1-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-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

Related Compounds

3-(5-methoxyindol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide
CID 71710363
(2R,3S)-2-[3-(5-methoxyindol-1-yl)propanoylamino]-3-methylpentanoic acid
CID 124647642
N-cyclopropyl-3-(5-methoxyindol-1-yl)propanamide
CID 116619419
3-(5-methoxyindol-1-yl)propanamide
CID 116619447
N-propan-2-yl-3-(5-propan-2-yloxyindol-1-yl)propanamide
CID 116625781
5-methoxy-1-propan-2-yl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide
CID 71703387
(2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid
CID 39377928
2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 91822510
3-(5-methoxyindol-1-yl)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]propanamide
CID 51718243
6-(5-methoxyindol-1-yl)hexan-1-ol
CID 107707082
2-(5-methoxyindol-1-yl)-N-pyridin-2-ylacetamide
CID 29137208
3-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-ylpropanamide
CID 110204742

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxyindol-1-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-(5-methoxyindol-1-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide (CID 71703790) is 3-(5-methoxyindol-1-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-(5-methoxyindol-1-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-(5-methoxyindol-1-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide is COc1ccc2c(ccn2CCC(=O)Nc2n[nH]c(C(C)C)n2)c1.
What is the InChIKey of 3-(5-methoxyindol-1-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is PYKJMYCUUCSEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11(2)16-19-17(21-20-16)18-15(23)7-9-22-8-6-12-10-13(24-3)4-5-14(12)22/h4-6,8,10-11H,7,9H2,1-3H3,(H2,18,19,20,21,23).
What are the key properties of 3-(5-methoxyindol-1-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
3-(5-methoxyindol-1-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 327.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxyindol-1-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 71703790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).