N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide

C24H22N6O2 — CID 46324037

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3cccc(-n4nnc5cccnc54)c3C)c2c1
InChIInChI=1S/C24H22N6O2/c1-15-18(5-3-7-22(15)30-23-21(28-29-30)6-4-11-25-23)24(31)26-12-10-16-14-27-20-9-8-17(32-2)13-19(16)20/h3-9,11,13-14,27H,10,12H2,1-2H3,(H,26,31)
InChIKeyPZCBGBHOFVVNTM-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.59
Rot. Bonds6

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 46324037) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID46324037
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3cccc(-n4nnc5cccnc54)c3C)c2c1
InChIInChI=1S/C24H22N6O2/c1-15-18(5-3-7-22(15)30-23-21(28-29-30)6-4-11-25-23)24(31)26-12-10-16-14-27-20-9-8-17(32-2)13-19(16)20/h3-9,11,13-14,27H,10,12H2,1-2H3,(H,26,31)
InChIKeyPZCBGBHOFVVNTM-UHFFFAOYSA-N
XLogP3.59
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53069899
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006219
3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-nitrobenzamide
CID 17271715
2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271778
6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 146092029
2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 168786739
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 29147475
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 17171258
N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212129

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 46324037) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide is COc1ccc2[nH]cc(CCNC(=O)c3cccc(-n4nnc5cccnc54)c3C)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is PZCBGBHOFVVNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-15-18(5-3-7-22(15)30-23-21(28-29-30)6-4-11-25-23)24(31)26-12-10-16-14-27-20-9-8-17(32-2)13-19(16)20/h3-9,11,13-14,27H,10,12H2,1-2H3,(H,26,31).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 426.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 46324037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).