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

C24H23FN6O — CID 118725611

IUPAC4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluoroaniline
SMILESNc1ccc(-c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)c(F)c1
InChIInChI=1S/C24H23FN6O/c25-18-10-15(26)2-3-16(18)14-1-4-19-17(9-14)23(31-30-19)20-11-28-13-22(29-20)32-21-12-27-8-7-24(21)5-6-24/h1-4,9-11,13,21,27H,5-8,12,26H2,(H,30,31)/t21-/m0/s1
InChIKeySICGXIYTLNIGLG-NRFANRHFSA-N
MW430.49 g/mol
LogP3.93
Rot. Bonds4

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

4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluoroaniline (PubChem CID 118725611) has the molecular formula C24H23FN6O and a molecular weight of 430.49 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-fluoroaniline.

Molecular Properties

Compound Name4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluoroaniline
PubChem CID118725611
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC Name4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluoroaniline
SMILESNc1ccc(-c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)c(F)c1
InChIInChI=1S/C24H23FN6O/c25-18-10-15(26)2-3-16(18)14-1-4-19-17(9-14)23(31-30-19)20-11-28-13-22(29-20)32-21-12-27-8-7-24(21)5-6-24/h1-4,9-11,13,21,27H,5-8,12,26H2,(H,30,31)/t21-/m0/s1
InChIKeySICGXIYTLNIGLG-NRFANRHFSA-N
XLogP3.93
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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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-fluoroaniline?
The IUPAC name of 4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluoroaniline (CID 118725611) is 4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluoroaniline.
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-fluoroaniline?
The canonical SMILES for 4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluoroaniline is Nc1ccc(-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-fluoroaniline?
The InChIKey is SICGXIYTLNIGLG-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23FN6O/c25-18-10-15(26)2-3-16(18)14-1-4-19-17(9-14)23(31-30-19)20-11-28-13-22(29-20)32-21-12-27-8-7-24(21)5-6-24/h1-4,9-11,13,21,27H,5-8,12,26H2,(H,30,31)/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-fluoroaniline?
4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluoroaniline has a molecular weight of 430.49 g/mol, XLogP of 3.93, 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-fluoroaniline is sourced from PubChem (CID 118725611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).