N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C21H23FN4O2 — CID 112817523

IUPACN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)N(CCc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C21H23FN4O2/c22-17-10-8-16(9-11-17)12-14-24(18-5-1-2-6-18)20(27)15-26-21(28)25-13-4-3-7-19(25)23-26/h3-4,7-11,13,18H,1-2,5-6,12,14-15H2
InChIKeyFKNWOFJKQIPSFG-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.65
Rot. Bonds6

About N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 112817523) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID112817523
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)N(CCc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C21H23FN4O2/c22-17-10-8-16(9-11-17)12-14-24(18-5-1-2-6-18)20(27)15-26-21(28)25-13-4-3-7-19(25)23-26/h3-4,7-11,13,18H,1-2,5-6,12,14-15H2
InChIKeyFKNWOFJKQIPSFG-UHFFFAOYSA-N
XLogP2.65
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 112817523) is N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is O=C(Cn1nc2ccccn2c1=O)N(CCc1ccc(F)cc1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is FKNWOFJKQIPSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c22-17-10-8-16(9-11-17)12-14-24(18-5-1-2-6-18)20(27)15-26-21(28)25-13-4-3-7-19(25)23-26/h3-4,7-11,13,18H,1-2,5-6,12,14-15H2.
What are the key properties of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 382.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 112817523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).