4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenol

C24H22FN5O2 — CID 136966273

IUPAC4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenol
SMILESOc1ccc(-c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)c(F)c1
InChIInChI=1S/C24H22FN5O2/c25-18-10-15(31)2-3-16(18)14-1-4-19-17(9-14)23(30-29-19)20-11-27-13-22(28-20)32-21-12-26-8-7-24(21)5-6-24/h1-4,9-11,13,21,26,31H,5-8,12H2,(H,29,30)/t21-/m0/s1
InChIKeyUFXCEAJTAFSFJV-NRFANRHFSA-N
MW431.47 g/mol
LogP4.05
Rot. Bonds4

About 4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenol

4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenol (PubChem CID 136966273) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenol.

Molecular Properties

Compound Name4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenol
PubChem CID136966273
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenol
SMILESOc1ccc(-c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)c(F)c1
InChIInChI=1S/C24H22FN5O2/c25-18-10-15(31)2-3-16(18)14-1-4-19-17(9-14)23(30-29-19)20-11-27-13-22(28-20)32-21-12-26-8-7-24(21)5-6-24/h1-4,9-11,13,21,26,31H,5-8,12H2,(H,29,30)/t21-/m0/s1
InChIKeyUFXCEAJTAFSFJV-NRFANRHFSA-N
XLogP4.05
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenol?
The IUPAC name of 4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenol (CID 136966273) is 4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenol.
What is the SMILES notation for 4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenol?
The canonical SMILES for 4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenol is Oc1ccc(-c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)c(F)c1.
What is the InChIKey of 4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenol?
The InChIKey is UFXCEAJTAFSFJV-NRFANRHFSA-N. The full InChI is InChI=1S/C24H22FN5O2/c25-18-10-15(31)2-3-16(18)14-1-4-19-17(9-14)23(30-29-19)20-11-27-13-22(28-20)32-21-12-26-8-7-24(21)5-6-24/h1-4,9-11,13,21,26,31H,5-8,12H2,(H,29,30)/t21-/m0/s1.
What are the key properties of 4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenol?
4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenol has a molecular weight of 431.47 g/mol, XLogP of 4.05, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenol is sourced from PubChem (CID 136966273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).