5-bromo-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole

C16H16BrN5O — CID 67959798

IUPAC5-bromo-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
SMILESBrc1ccc2[nH]nc(-c3cncc(OC4CCCNC4)n3)c2c1
InChIInChI=1S/C16H16BrN5O/c17-10-3-4-13-12(6-10)16(22-21-13)14-8-19-9-15(20-14)23-11-2-1-5-18-7-11/h3-4,6,8-9,11,18H,1-2,5,7H2,(H,21,22)
InChIKeyKOBZQRBJBMYPLV-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.91
Rot. Bonds3

About 5-bromo-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole

5-bromo-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole (PubChem CID 67959798) has the molecular formula C16H16BrN5O and a molecular weight of 374.24 g/mol. Its IUPAC name is 5-bromo-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole.

Molecular Properties

Compound Name5-bromo-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
PubChem CID67959798
Molecular FormulaC16H16BrN5O
Molecular Weight374.24 g/mol
Exact Mass373.05
IUPAC Name5-bromo-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
SMILESBrc1ccc2[nH]nc(-c3cncc(OC4CCCNC4)n3)c2c1
InChIInChI=1S/C16H16BrN5O/c17-10-3-4-13-12(6-10)16(22-21-13)14-8-19-9-15(20-14)23-11-2-1-5-18-7-11/h3-4,6,8-9,11,18H,1-2,5,7H2,(H,21,22)
InChIKeyKOBZQRBJBMYPLV-UHFFFAOYSA-N
XLogP2.91
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole?
The IUPAC name of 5-bromo-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole (CID 67959798) is 5-bromo-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole.
What is the SMILES notation for 5-bromo-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole?
The canonical SMILES for 5-bromo-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole is Brc1ccc2[nH]nc(-c3cncc(OC4CCCNC4)n3)c2c1.
What is the InChIKey of 5-bromo-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole?
The InChIKey is KOBZQRBJBMYPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O/c17-10-3-4-13-12(6-10)16(22-21-13)14-8-19-9-15(20-14)23-11-2-1-5-18-7-11/h3-4,6,8-9,11,18H,1-2,5,7H2,(H,21,22).
What are the key properties of 5-bromo-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole?
5-bromo-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole has a molecular weight of 374.24 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole is sourced from PubChem (CID 67959798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).