6-[5-(2,5-difluorophenyl)-1H-pyrazol-4-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

C18H15F2N5 — CID 23647348

IUPAC6-[5-(2,5-difluorophenyl)-1H-pyrazol-4-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2ccc(-c3cn[nH]c3-c3cc(F)ccc3F)cn12
InChIInChI=1S/C18H15F2N5/c1-10(2)18-24-22-16-6-3-11(9-25(16)18)14-8-21-23-17(14)13-7-12(19)4-5-15(13)20/h3-10H,1-2H3,(H,21,23)
InChIKeyXQFBFBBFUGBKRH-UHFFFAOYSA-N
MW339.35 g/mol
LogP4.19
Rot. Bonds3

About 6-[5-(2,5-difluorophenyl)-1H-pyrazol-4-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

6-[5-(2,5-difluorophenyl)-1H-pyrazol-4-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 23647348) has the molecular formula C18H15F2N5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 6-[5-(2,5-difluorophenyl)-1H-pyrazol-4-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-[5-(2,5-difluorophenyl)-1H-pyrazol-4-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID23647348
Molecular FormulaC18H15F2N5
Molecular Weight339.35 g/mol
Exact Mass339.13
IUPAC Name6-[5-(2,5-difluorophenyl)-1H-pyrazol-4-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2ccc(-c3cn[nH]c3-c3cc(F)ccc3F)cn12
InChIInChI=1S/C18H15F2N5/c1-10(2)18-24-22-16-6-3-11(9-25(16)18)14-8-21-23-17(14)13-7-12(19)4-5-15(13)20/h3-10H,1-2H3,(H,21,23)
InChIKeyXQFBFBBFUGBKRH-UHFFFAOYSA-N
XLogP4.19
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2,5-difluorophenyl)-1H-pyrazol-4-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-[5-(2,5-difluorophenyl)-1H-pyrazol-4-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 23647348) is 6-[5-(2,5-difluorophenyl)-1H-pyrazol-4-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-[5-(2,5-difluorophenyl)-1H-pyrazol-4-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-[5-(2,5-difluorophenyl)-1H-pyrazol-4-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1nnc2ccc(-c3cn[nH]c3-c3cc(F)ccc3F)cn12.
What is the InChIKey of 6-[5-(2,5-difluorophenyl)-1H-pyrazol-4-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is XQFBFBBFUGBKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5/c1-10(2)18-24-22-16-6-3-11(9-25(16)18)14-8-21-23-17(14)13-7-12(19)4-5-15(13)20/h3-10H,1-2H3,(H,21,23).
What are the key properties of 6-[5-(2,5-difluorophenyl)-1H-pyrazol-4-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
6-[5-(2,5-difluorophenyl)-1H-pyrazol-4-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 339.35 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2,5-difluorophenyl)-1H-pyrazol-4-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 23647348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).