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

C17H15F2N5O2 — CID 166379127

IUPAC7-[4-(2,3-difluorophenyl)piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(c1ccn2c(=O)[nH]nc2c1)N1CCN(c2cccc(F)c2F)CC1
InChIInChI=1S/C17H15F2N5O2/c18-12-2-1-3-13(15(12)19)22-6-8-23(9-7-22)16(25)11-4-5-24-14(10-11)20-21-17(24)26/h1-5,10H,6-9H2,(H,21,26)
InChIKeyREQOJKZDDDLSKP-UHFFFAOYSA-N
MW359.34 g/mol
LogP1.26
Rot. Bonds2

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

7-[4-(2,3-difluorophenyl)piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 166379127) has the molecular formula C17H15F2N5O2 and a molecular weight of 359.34 g/mol. Its IUPAC name is 7-[4-(2,3-difluorophenyl)piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name7-[4-(2,3-difluorophenyl)piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID166379127
Molecular FormulaC17H15F2N5O2
Molecular Weight359.34 g/mol
Exact Mass359.12
IUPAC Name7-[4-(2,3-difluorophenyl)piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(c1ccn2c(=O)[nH]nc2c1)N1CCN(c2cccc(F)c2F)CC1
InChIInChI=1S/C17H15F2N5O2/c18-12-2-1-3-13(15(12)19)22-6-8-23(9-7-22)16(25)11-4-5-24-14(10-11)20-21-17(24)26/h1-5,10H,6-9H2,(H,21,26)
InChIKeyREQOJKZDDDLSKP-UHFFFAOYSA-N
XLogP1.26
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
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-(2,3-difluorophenyl)piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 7-[4-(2,3-difluorophenyl)piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 166379127) is 7-[4-(2,3-difluorophenyl)piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 7-[4-(2,3-difluorophenyl)piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 7-[4-(2,3-difluorophenyl)piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C(c1ccn2c(=O)[nH]nc2c1)N1CCN(c2cccc(F)c2F)CC1.
What is the InChIKey of 7-[4-(2,3-difluorophenyl)piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is REQOJKZDDDLSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O2/c18-12-2-1-3-13(15(12)19)22-6-8-23(9-7-22)16(25)11-4-5-24-14(10-11)20-21-17(24)26/h1-5,10H,6-9H2,(H,21,26).
What are the key properties of 7-[4-(2,3-difluorophenyl)piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
7-[4-(2,3-difluorophenyl)piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 359.34 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2,3-difluorophenyl)piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 166379127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).