N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-3-fluoro-4-methoxybenzamide

C18H17FN4O2 — CID 53166360

IUPACN-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccn3c(C4CCC4)nnc23)cc1F
InChIInChI=1S/C18H17FN4O2/c1-25-15-8-7-12(10-13(15)19)18(24)20-14-6-3-9-23-16(11-4-2-5-11)21-22-17(14)23/h3,6-11H,2,4-5H2,1H3,(H,20,24)
InChIKeyZHKRPHHYQWTHMI-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.40
Rot. Bonds4

About N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-3-fluoro-4-methoxybenzamide

N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-3-fluoro-4-methoxybenzamide (PubChem CID 53166360) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-3-fluoro-4-methoxybenzamide
PubChem CID53166360
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccn3c(C4CCC4)nnc23)cc1F
InChIInChI=1S/C18H17FN4O2/c1-25-15-8-7-12(10-13(15)19)18(24)20-14-6-3-9-23-16(11-4-2-5-11)21-22-17(14)23/h3,6-11H,2,4-5H2,1H3,(H,20,24)
InChIKeyZHKRPHHYQWTHMI-UHFFFAOYSA-N
XLogP3.40
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-3-fluoro-4-methoxybenzamide (CID 53166360) is N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccn3c(C4CCC4)nnc23)cc1F.
What is the InChIKey of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-3-fluoro-4-methoxybenzamide?
The InChIKey is ZHKRPHHYQWTHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-25-15-8-7-12(10-13(15)19)18(24)20-14-6-3-9-23-16(11-4-2-5-11)21-22-17(14)23/h3,6-11H,2,4-5H2,1H3,(H,20,24).
What are the key properties of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-3-fluoro-4-methoxybenzamide?
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-3-fluoro-4-methoxybenzamide has a molecular weight of 340.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 53166360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).