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

C22H15F2N5 — CID 23433715

IUPAC6-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1[nH]nc(-c2ccc(F)cc2F)c1-c1ccc2nnc(-c3ccccc3)n2c1
InChIInChI=1S/C22H15F2N5/c1-13-20(21(27-25-13)17-9-8-16(23)11-18(17)24)15-7-10-19-26-28-22(29(19)12-15)14-5-3-2-4-6-14/h2-12H,1H3,(H,25,27)
InChIKeySNKUTASOCPGBLE-UHFFFAOYSA-N
MW387.39 g/mol
LogP5.04
Rot. Bonds3

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

6-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 23433715) has the molecular formula C22H15F2N5 and a molecular weight of 387.39 g/mol. Its IUPAC name is 6-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID23433715
Molecular FormulaC22H15F2N5
Molecular Weight387.39 g/mol
Exact Mass387.13
IUPAC Name6-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1[nH]nc(-c2ccc(F)cc2F)c1-c1ccc2nnc(-c3ccccc3)n2c1
InChIInChI=1S/C22H15F2N5/c1-13-20(21(27-25-13)17-9-8-16(23)11-18(17)24)15-7-10-19-26-28-22(29(19)12-15)14-5-3-2-4-6-14/h2-12H,1H3,(H,25,27)
InChIKeySNKUTASOCPGBLE-UHFFFAOYSA-N
XLogP5.04
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine (CID 23433715) is 6-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine is Cc1[nH]nc(-c2ccc(F)cc2F)c1-c1ccc2nnc(-c3ccccc3)n2c1.
What is the InChIKey of 6-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is SNKUTASOCPGBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5/c1-13-20(21(27-25-13)17-9-8-16(23)11-18(17)24)15-7-10-19-26-28-22(29(19)12-15)14-5-3-2-4-6-14/h2-12H,1H3,(H,25,27).
What are the key properties of 6-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine?
6-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 387.39 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 23433715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).