2-(5-methoxy-1H-indol-3-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide

C18H17N5O2 — CID 166234147

IUPAC2-(5-methoxy-1H-indol-3-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)Nc3nnc4cc(C)ccn34)c2c1
InChIInChI=1S/C18H17N5O2/c1-11-5-6-23-16(7-11)21-22-18(23)20-17(24)8-12-10-19-15-4-3-13(25-2)9-14(12)15/h3-7,9-10,19H,8H2,1-2H3,(H,20,22,24)
InChIKeyWTMZIUIZSIUDIJ-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.71
Rot. Bonds4

About 2-(5-methoxy-1H-indol-3-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide

2-(5-methoxy-1H-indol-3-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide (PubChem CID 166234147) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
PubChem CID166234147
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)Nc3nnc4cc(C)ccn34)c2c1
InChIInChI=1S/C18H17N5O2/c1-11-5-6-23-16(7-11)21-22-18(23)20-17(24)8-12-10-19-15-4-3-13(25-2)9-14(12)15/h3-7,9-10,19H,8H2,1-2H3,(H,20,22,24)
InChIKeyWTMZIUIZSIUDIJ-UHFFFAOYSA-N
XLogP2.71
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide (CID 166234147) is 2-(5-methoxy-1H-indol-3-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide is COc1ccc2[nH]cc(CC(=O)Nc3nnc4cc(C)ccn34)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide?
The InChIKey is WTMZIUIZSIUDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11-5-6-23-16(7-11)21-22-18(23)20-17(24)8-12-10-19-15-4-3-13(25-2)9-14(12)15/h3-7,9-10,19H,8H2,1-2H3,(H,20,22,24).
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide?
2-(5-methoxy-1H-indol-3-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide has a molecular weight of 335.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 166234147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).