7-[4-[(2,5-difluorophenyl)methyl]piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C18H17F2N5O2 — CID 166338147

IUPAC7-[4-[(2,5-difluorophenyl)methyl]piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(c1ccn2c(=O)[nH]nc2c1)N1CCN(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C18H17F2N5O2/c19-14-1-2-15(20)13(9-14)11-23-5-7-24(8-6-23)17(26)12-3-4-25-16(10-12)21-22-18(25)27/h1-4,9-10H,5-8,11H2,(H,22,27)
InChIKeyDRHPFFZTWLIYIP-UHFFFAOYSA-N
MW373.36 g/mol
LogP1.26
Rot. Bonds3

About 7-[4-[(2,5-difluorophenyl)methyl]piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

7-[4-[(2,5-difluorophenyl)methyl]piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 166338147) has the molecular formula C18H17F2N5O2 and a molecular weight of 373.36 g/mol. Its IUPAC name is 7-[4-[(2,5-difluorophenyl)methyl]piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name7-[4-[(2,5-difluorophenyl)methyl]piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID166338147
Molecular FormulaC18H17F2N5O2
Molecular Weight373.36 g/mol
Exact Mass373.14
IUPAC Name7-[4-[(2,5-difluorophenyl)methyl]piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(c1ccn2c(=O)[nH]nc2c1)N1CCN(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C18H17F2N5O2/c19-14-1-2-15(20)13(9-14)11-23-5-7-24(8-6-23)17(26)12-3-4-25-16(10-12)21-22-18(25)27/h1-4,9-10H,5-8,11H2,(H,22,27)
InChIKeyDRHPFFZTWLIYIP-UHFFFAOYSA-N
XLogP1.26
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[(2,5-difluorophenyl)methyl]piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 7-[4-[(2,5-difluorophenyl)methyl]piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 166338147) is 7-[4-[(2,5-difluorophenyl)methyl]piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 7-[4-[(2,5-difluorophenyl)methyl]piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 7-[4-[(2,5-difluorophenyl)methyl]piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C(c1ccn2c(=O)[nH]nc2c1)N1CCN(Cc2cc(F)ccc2F)CC1.
What is the InChIKey of 7-[4-[(2,5-difluorophenyl)methyl]piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is DRHPFFZTWLIYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O2/c19-14-1-2-15(20)13(9-14)11-23-5-7-24(8-6-23)17(26)12-3-4-25-16(10-12)21-22-18(25)27/h1-4,9-10H,5-8,11H2,(H,22,27).
What are the key properties of 7-[4-[(2,5-difluorophenyl)methyl]piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
7-[4-[(2,5-difluorophenyl)methyl]piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 373.36 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(2,5-difluorophenyl)methyl]piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 166338147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).