3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;dihydrochloride

C18H20BrCl2N5O — CID 86709783

IUPAC3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;dihydrochloride
SMILESBrc1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1.Cl.Cl
InChIInChI=1S/C18H18BrN5O.2ClH/c19-11-1-2-13-12(7-11)17(24-23-13)14-8-21-10-16(22-14)25-15-9-20-6-5-18(15)3-4-18;;/h1-2,7-8,10,15,20H,3-6,9H2,(H,23,24);2*1H/t15-;;/m0../s1
InChIKeyIZBPZWFFWKAQLH-CKUXDGONSA-N
MW473.20 g/mol
LogP4.15
Rot. Bonds3

About 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;dihydrochloride

3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;dihydrochloride (PubChem CID 86709783) has the molecular formula C18H20BrCl2N5O and a molecular weight of 473.20 g/mol. Its IUPAC name is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;dihydrochloride.

Molecular Properties

Compound Name3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;dihydrochloride
PubChem CID86709783
Molecular FormulaC18H20BrCl2N5O
Molecular Weight473.20 g/mol
Exact Mass471.02
IUPAC Name3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;dihydrochloride
SMILESBrc1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1.Cl.Cl
InChIInChI=1S/C18H18BrN5O.2ClH/c19-11-1-2-13-12(7-11)17(24-23-13)14-8-21-10-16(22-14)25-15-9-20-6-5-18(15)3-4-18;;/h1-2,7-8,10,15,20H,3-6,9H2,(H,23,24);2*1H/t15-;;/m0../s1
InChIKeyIZBPZWFFWKAQLH-CKUXDGONSA-N
XLogP4.15
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.20
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;dihydrochloride?
The IUPAC name of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;dihydrochloride (CID 86709783) is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;dihydrochloride.
What is the SMILES notation for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;dihydrochloride?
The canonical SMILES for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;dihydrochloride is Brc1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1.Cl.Cl.
What is the InChIKey of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;dihydrochloride?
The InChIKey is IZBPZWFFWKAQLH-CKUXDGONSA-N. The full InChI is InChI=1S/C18H18BrN5O.2ClH/c19-11-1-2-13-12(7-11)17(24-23-13)14-8-21-10-16(22-14)25-15-9-20-6-5-18(15)3-4-18;;/h1-2,7-8,10,15,20H,3-6,9H2,(H,23,24);2*1H/t15-;;/m0../s1.
What are the key properties of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;dihydrochloride?
3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;dihydrochloride has a molecular weight of 473.20 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;dihydrochloride is sourced from PubChem (CID 86709783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).