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

C24H22FN5O — CID 118725604

IUPAC3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluorophenyl)-1H-indazole
SMILESFc1ccccc1-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1
InChIInChI=1S/C24H22FN5O/c25-18-4-2-1-3-16(18)15-5-6-19-17(11-15)23(30-29-19)20-12-27-14-22(28-20)31-21-13-26-10-9-24(21)7-8-24/h1-6,11-12,14,21,26H,7-10,13H2,(H,29,30)/t21-/m0/s1
InChIKeyAXLWBOXIQLKYIT-NRFANRHFSA-N
MW415.47 g/mol
LogP4.35
Rot. Bonds4

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

3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluorophenyl)-1H-indazole (PubChem CID 118725604) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluorophenyl)-1H-indazole.

Molecular Properties

Compound Name3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluorophenyl)-1H-indazole
PubChem CID118725604
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluorophenyl)-1H-indazole
SMILESFc1ccccc1-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1
InChIInChI=1S/C24H22FN5O/c25-18-4-2-1-3-16(18)15-5-6-19-17(11-15)23(30-29-19)20-12-27-14-22(28-20)31-21-13-26-10-9-24(21)7-8-24/h1-6,11-12,14,21,26H,7-10,13H2,(H,29,30)/t21-/m0/s1
InChIKeyAXLWBOXIQLKYIT-NRFANRHFSA-N
XLogP4.35
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluorophenyl)-1H-indazole?
The IUPAC name of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluorophenyl)-1H-indazole (CID 118725604) is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluorophenyl)-1H-indazole.
What is the SMILES notation for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluorophenyl)-1H-indazole?
The canonical SMILES for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluorophenyl)-1H-indazole is Fc1ccccc1-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1.
What is the InChIKey of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluorophenyl)-1H-indazole?
The InChIKey is AXLWBOXIQLKYIT-NRFANRHFSA-N. The full InChI is InChI=1S/C24H22FN5O/c25-18-4-2-1-3-16(18)15-5-6-19-17(11-15)23(30-29-19)20-12-27-14-22(28-20)31-21-13-26-10-9-24(21)7-8-24/h1-6,11-12,14,21,26H,7-10,13H2,(H,29,30)/t21-/m0/s1.
What are the key properties of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluorophenyl)-1H-indazole?
3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluorophenyl)-1H-indazole has a molecular weight of 415.47 g/mol, XLogP of 4.35, 4 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-(2-fluorophenyl)-1H-indazole is sourced from PubChem (CID 118725604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).