5-(2,6-difluorophenyl)-3-(6-piperazin-1-ylpyrazin-2-yl)-1H-indazole

C21H18F2N6 — CID 67959845

IUPAC5-(2,6-difluorophenyl)-3-(6-piperazin-1-ylpyrazin-2-yl)-1H-indazole
SMILESFc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(N4CCNCC4)n3)c2c1
InChIInChI=1S/C21H18F2N6/c22-15-2-1-3-16(23)20(15)13-4-5-17-14(10-13)21(28-27-17)18-11-25-12-19(26-18)29-8-6-24-7-9-29/h1-5,10-12,24H,6-9H2,(H,27,28)
InChIKeyQFEQLOZOUCTCFE-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.37
Rot. Bonds3

About 5-(2,6-difluorophenyl)-3-(6-piperazin-1-ylpyrazin-2-yl)-1H-indazole

5-(2,6-difluorophenyl)-3-(6-piperazin-1-ylpyrazin-2-yl)-1H-indazole (PubChem CID 67959845) has the molecular formula C21H18F2N6 and a molecular weight of 392.41 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-3-(6-piperazin-1-ylpyrazin-2-yl)-1H-indazole.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-3-(6-piperazin-1-ylpyrazin-2-yl)-1H-indazole
PubChem CID67959845
Molecular FormulaC21H18F2N6
Molecular Weight392.41 g/mol
Exact Mass392.16
IUPAC Name5-(2,6-difluorophenyl)-3-(6-piperazin-1-ylpyrazin-2-yl)-1H-indazole
SMILESFc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(N4CCNCC4)n3)c2c1
InChIInChI=1S/C21H18F2N6/c22-15-2-1-3-16(23)20(15)13-4-5-17-14(10-13)21(28-27-17)18-11-25-12-19(26-18)29-8-6-24-7-9-29/h1-5,10-12,24H,6-9H2,(H,27,28)
InChIKeyQFEQLOZOUCTCFE-UHFFFAOYSA-N
XLogP3.37
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-3-(6-piperazin-1-ylpyrazin-2-yl)-1H-indazole?
The IUPAC name of 5-(2,6-difluorophenyl)-3-(6-piperazin-1-ylpyrazin-2-yl)-1H-indazole (CID 67959845) is 5-(2,6-difluorophenyl)-3-(6-piperazin-1-ylpyrazin-2-yl)-1H-indazole.
What is the SMILES notation for 5-(2,6-difluorophenyl)-3-(6-piperazin-1-ylpyrazin-2-yl)-1H-indazole?
The canonical SMILES for 5-(2,6-difluorophenyl)-3-(6-piperazin-1-ylpyrazin-2-yl)-1H-indazole is Fc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(N4CCNCC4)n3)c2c1.
What is the InChIKey of 5-(2,6-difluorophenyl)-3-(6-piperazin-1-ylpyrazin-2-yl)-1H-indazole?
The InChIKey is QFEQLOZOUCTCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6/c22-15-2-1-3-16(23)20(15)13-4-5-17-14(10-13)21(28-27-17)18-11-25-12-19(26-18)29-8-6-24-7-9-29/h1-5,10-12,24H,6-9H2,(H,27,28).
What are the key properties of 5-(2,6-difluorophenyl)-3-(6-piperazin-1-ylpyrazin-2-yl)-1H-indazole?
5-(2,6-difluorophenyl)-3-(6-piperazin-1-ylpyrazin-2-yl)-1H-indazole has a molecular weight of 392.41 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-3-(6-piperazin-1-ylpyrazin-2-yl)-1H-indazole is sourced from PubChem (CID 67959845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).