2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide

C20H19N5O2 — CID 71709801

IUPAC2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccc(Cc2nc(NC(=O)Cc3c[nH]c4ccccc34)n[nH]2)cc1
InChIInChI=1S/C20H19N5O2/c1-27-15-8-6-13(7-9-15)10-18-22-20(25-24-18)23-19(26)11-14-12-21-17-5-3-2-4-16(14)17/h2-9,12,21H,10-11H2,1H3,(H2,22,23,24,25,26)
InChIKeyCKINLCDJTSEVMF-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.07
Rot. Bonds6

About 2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide

2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 71709801) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID71709801
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccc(Cc2nc(NC(=O)Cc3c[nH]c4ccccc34)n[nH]2)cc1
InChIInChI=1S/C20H19N5O2/c1-27-15-8-6-13(7-9-15)10-18-22-20(25-24-18)23-19(26)11-14-12-21-17-5-3-2-4-16(14)17/h2-9,12,21H,10-11H2,1H3,(H2,22,23,24,25,26)
InChIKeyCKINLCDJTSEVMF-UHFFFAOYSA-N
XLogP3.07
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide 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-[4-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982718
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464
2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093520
2-(2-chloro-6-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 71702594
N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 9451408
3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 46997417
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2475685
2-(1H-indol-3-yl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 71799748
2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 17053042
methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate
CID 53306565
2-(4-methoxyphenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91822345

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide (CID 71709801) is 2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide is COc1ccc(Cc2nc(NC(=O)Cc3c[nH]c4ccccc34)n[nH]2)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is CKINLCDJTSEVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-27-15-8-6-13(7-9-15)10-18-22-20(25-24-18)23-19(26)11-14-12-21-17-5-3-2-4-16(14)17/h2-9,12,21H,10-11H2,1H3,(H2,22,23,24,25,26).
What are the key properties of 2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 361.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 71709801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).