N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

C22H23N5O2 — CID 131924211

IUPACN-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCOc1ccc(-n2cnnc2)cc1NC(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12
InChIInChI=1S/C22H23N5O2/c1-13-5-6-14(2)22-21(13)17(15(3)25-22)10-20(28)26-18-9-16(7-8-19(18)29-4)27-11-23-24-12-27/h5-9,11-12,25H,10H2,1-4H3,(H,26,28)
InChIKeyZPYOVBXSFFNOIZ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.86
Rot. Bonds5

About N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide (PubChem CID 131924211) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
PubChem CID131924211
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCOc1ccc(-n2cnnc2)cc1NC(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12
InChIInChI=1S/C22H23N5O2/c1-13-5-6-14(2)22-21(13)17(15(3)25-22)10-20(28)26-18-9-16(7-8-19(18)29-4)27-11-23-24-12-27/h5-9,11-12,25H,10H2,1-4H3,(H,26,28)
InChIKeyZPYOVBXSFFNOIZ-UHFFFAOYSA-N
XLogP3.86
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 131941993
N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-piperidin-4-ylacetamide
CID 131927636
N-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212208
3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol
CID 82496131
N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
CID 131913187
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 136890158
2-[3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 82194819
2-(4-methoxy-2,7-dimethyl-1H-indol-3-yl)ethanamine
CID 105472778
N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110613173
(2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide
CID 71596203
N-(5-chloro-2-methoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 749086
N-(2,5-dimethoxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30273731

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide (CID 131924211) is N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide is COc1ccc(-n2cnnc2)cc1NC(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12.
What is the InChIKey of N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
The InChIKey is ZPYOVBXSFFNOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13-5-6-14(2)22-21(13)17(15(3)25-22)10-20(28)26-18-9-16(7-8-19(18)29-4)27-11-23-24-12-27/h5-9,11-12,25H,10H2,1-4H3,(H,26,28).
What are the key properties of N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide has a molecular weight of 389.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 131924211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).