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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Related Compounds

3-{6-[(4r)-6-Azaspiro[2.5]oct-4-Yloxy]pyrazin-2-Yl}-5-(2,6-Difluorophenyl)-1h-Indazole
CID 67960061
3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(2,6-difluorophenyl)-1H-indazole
CID 67960181
(R)-3-(6-(6-Azaspiro[2.5]octan-4-yloxy)pyrazin-2-yl)-5-(2-fluorophenyl)-1H-indazole
CID 118725604
4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluoroaniline
CID 118725611
5-(2,6-difluorophenyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
CID 67959600
5-(2,6-difluorophenyl)-3-(6-piperidin-4-yloxypyrazin-2-yl)-1H-indazole
CID 67960161
3-[6-[[(8S)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2,6-difluorophenyl)-1H-indazole
CID 118725603
5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole
CID 162659271
6-fluoro-5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole
CID 162668303
5-(2,6-difluorophenyl)-3-[6-(4-methylidenepiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole
CID 118725601
5-(2,6-difluorophenyl)-3-[6-(4,4-dimethylpiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole
CID 118725602
(R)-3-(6-(6-Azaspiro[2.5]octan-4-yloxy)pyrazin-2-yl)-5-phenyl-1H-indazole
CID 118725605

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).