N-[2-[(4-ethoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide

C21H22N6O2 — CID 118962154

IUPACN-[2-[(4-ethoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
SMILESCCOc1ccc(Cn2ncc(NC(=O)Cc3ccc4c(cnn4C)c3)n2)cc1
InChIInChI=1S/C21H22N6O2/c1-3-29-18-7-4-15(5-8-18)14-27-23-13-20(25-27)24-21(28)11-16-6-9-19-17(10-16)12-22-26(19)2/h4-10,12-13H,3,11,14H2,1-2H3,(H,24,25,28)
InChIKeyCJVWZIAZNUFOMF-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.79
Rot. Bonds7

About N-[2-[(4-ethoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide

N-[2-[(4-ethoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide (PubChem CID 118962154) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[2-[(4-ethoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-ethoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
PubChem CID118962154
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[2-[(4-ethoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
SMILESCCOc1ccc(Cn2ncc(NC(=O)Cc3ccc4c(cnn4C)c3)n2)cc1
InChIInChI=1S/C21H22N6O2/c1-3-29-18-7-4-15(5-8-18)14-27-23-13-20(25-27)24-21(28)11-16-6-9-19-17(10-16)12-22-26(19)2/h4-10,12-13H,3,11,14H2,1-2H3,(H,24,25,28)
InChIKeyCJVWZIAZNUFOMF-UHFFFAOYSA-N
XLogP2.79
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-methylindol-5-yl)-N-[2-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide
CID 118962040
N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindol-5-yl)acetamide
CID 118962161
2-(1-ethylindazol-5-yl)-N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]acetamide
CID 118961979
2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide
CID 118962107
N-(4-ethoxyphenyl)-2-naphthalen-2-ylacetamide
CID 2992988
4-ethoxy-N-(2-methyltriazol-4-yl)benzamide
CID 112535309
N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-[4-(2-methoxyethyl)phenyl]acetamide
CID 135260043
N-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-(1,3-dimethylindol-5-yl)acetamide
CID 118962086
2-(1,3-dimethylindol-5-yl)-N-[2-[(3-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]acetamide
CID 154403859
2-(4-ethoxyphenyl)-N-pyridin-2-ylacetamide
CID 17458735
N-methyl-1-(1-methylindazol-5-yl)methanamine
CID 82598913
2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120642114

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
The IUPAC name of N-[2-[(4-ethoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide (CID 118962154) is N-[2-[(4-ethoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide.
What is the SMILES notation for N-[2-[(4-ethoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
The canonical SMILES for N-[2-[(4-ethoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide is CCOc1ccc(Cn2ncc(NC(=O)Cc3ccc4c(cnn4C)c3)n2)cc1.
What is the InChIKey of N-[2-[(4-ethoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
The InChIKey is CJVWZIAZNUFOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-3-29-18-7-4-15(5-8-18)14-27-23-13-20(25-27)24-21(28)11-16-6-9-19-17(10-16)12-22-26(19)2/h4-10,12-13H,3,11,14H2,1-2H3,(H,24,25,28).
What are the key properties of N-[2-[(4-ethoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
N-[2-[(4-ethoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide has a molecular weight of 390.45 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide is sourced from PubChem (CID 118962154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).