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

C23H21FN6O — CID 118725609

IUPAC3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluoro-3-pyridinyl)-1H-indazole
SMILESFc1ncccc1-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1
InChIInChI=1S/C23H21FN6O/c24-22-15(2-1-8-27-22)14-3-4-17-16(10-14)21(30-29-17)18-11-26-13-20(28-18)31-19-12-25-9-7-23(19)5-6-23/h1-4,8,10-11,13,19,25H,5-7,9,12H2,(H,29,30)/t19-/m0/s1
InChIKeyHJUNBWFLNSCJJH-IBGZPJMESA-N
MW416.46 g/mol
LogP3.74
Rot. Bonds4

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

3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluoro-3-pyridinyl)-1H-indazole (PubChem CID 118725609) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluoro-3-pyridinyl)-1H-indazole.

Molecular Properties

Compound Name3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluoro-3-pyridinyl)-1H-indazole
PubChem CID118725609
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC Name3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluoro-3-pyridinyl)-1H-indazole
SMILESFc1ncccc1-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1
InChIInChI=1S/C23H21FN6O/c24-22-15(2-1-8-27-22)14-3-4-17-16(10-14)21(30-29-17)18-11-26-13-20(28-18)31-19-12-25-9-7-23(19)5-6-23/h1-4,8,10-11,13,19,25H,5-7,9,12H2,(H,29,30)/t19-/m0/s1
InChIKeyHJUNBWFLNSCJJH-IBGZPJMESA-N
XLogP3.74
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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-fluoro-3-pyridinyl)-1H-indazole?
The IUPAC name of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluoro-3-pyridinyl)-1H-indazole (CID 118725609) is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluoro-3-pyridinyl)-1H-indazole.
What is the SMILES notation for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluoro-3-pyridinyl)-1H-indazole?
The canonical SMILES for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluoro-3-pyridinyl)-1H-indazole is Fc1ncccc1-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-fluoro-3-pyridinyl)-1H-indazole?
The InChIKey is HJUNBWFLNSCJJH-IBGZPJMESA-N. The full InChI is InChI=1S/C23H21FN6O/c24-22-15(2-1-8-27-22)14-3-4-17-16(10-14)21(30-29-17)18-11-26-13-20(28-18)31-19-12-25-9-7-23(19)5-6-23/h1-4,8,10-11,13,19,25H,5-7,9,12H2,(H,29,30)/t19-/m0/s1.
What are the key properties of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluoro-3-pyridinyl)-1H-indazole?
3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-fluoro-3-pyridinyl)-1H-indazole has a molecular weight of 416.46 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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-fluoro-3-pyridinyl)-1H-indazole is sourced from PubChem (CID 118725609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).