N-[1-(4-fluorophenyl)cyclopentyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

C18H18FN5O — CID 166188146

IUPACN-[1-(4-fluorophenyl)cyclopentyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESO=C(Cc1nc2ncccn2n1)NC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C18H18FN5O/c19-14-6-4-13(5-7-14)18(8-1-2-9-18)22-16(25)12-15-21-17-20-10-3-11-24(17)23-15/h3-7,10-11H,1-2,8-9,12H2,(H,22,25)
InChIKeyACVQELFFUCNQSY-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.39
Rot. Bonds4

About N-[1-(4-fluorophenyl)cyclopentyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

N-[1-(4-fluorophenyl)cyclopentyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 166188146) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)cyclopentyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)cyclopentyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID166188146
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC NameN-[1-(4-fluorophenyl)cyclopentyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESO=C(Cc1nc2ncccn2n1)NC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C18H18FN5O/c19-14-6-4-13(5-7-14)18(8-1-2-9-18)22-16(25)12-15-21-17-20-10-3-11-24(17)23-15/h3-7,10-11H,1-2,8-9,12H2,(H,22,25)
InChIKeyACVQELFFUCNQSY-UHFFFAOYSA-N
XLogP2.39
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)cyclopentyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)cyclopentyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 166188146) is N-[1-(4-fluorophenyl)cyclopentyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)cyclopentyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)cyclopentyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is O=C(Cc1nc2ncccn2n1)NC1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of N-[1-(4-fluorophenyl)cyclopentyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is ACVQELFFUCNQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-14-6-4-13(5-7-14)18(8-1-2-9-18)22-16(25)12-15-21-17-20-10-3-11-24(17)23-15/h3-7,10-11H,1-2,8-9,12H2,(H,22,25).
What are the key properties of N-[1-(4-fluorophenyl)cyclopentyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-[1-(4-fluorophenyl)cyclopentyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 339.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)cyclopentyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 166188146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).