3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;2,2,2-trifluoroacetic acid

C23H24F3N5O3 — CID 67959814

IUPAC3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;2,2,2-trifluoroacetic acid
SMILESC=C(C)c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H23N5O.C2HF3O2/c1-13(2)14-3-4-16-15(9-14)20(26-25-16)17-10-23-12-19(24-17)27-18-11-22-8-7-21(18)5-6-21;3-2(4,5)1(6)7/h3-4,9-10,12,18,22H,1,5-8,11H2,2H3,(H,25,26);(H,6,7)/t18-;/m0./s1
InChIKeyVGZYMRRSLIQUCQ-FERBBOLQSA-N
MW475.47 g/mol
LogP4.21
Rot. Bonds4

About 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;2,2,2-trifluoroacetic acid

3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;2,2,2-trifluoroacetic acid (PubChem CID 67959814) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;2,2,2-trifluoroacetic acid
PubChem CID67959814
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC Name3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;2,2,2-trifluoroacetic acid
SMILESC=C(C)c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H23N5O.C2HF3O2/c1-13(2)14-3-4-16-15(9-14)20(26-25-16)17-10-23-12-19(24-17)27-18-11-22-8-7-21(18)5-6-21;3-2(4,5)1(6)7/h3-4,9-10,12,18,22H,1,5-8,11H2,2H3,(H,25,26);(H,6,7)/t18-;/m0./s1
InChIKeyVGZYMRRSLIQUCQ-FERBBOLQSA-N
XLogP4.21
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-prop-1-en-2-yl-1H-indazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;2,2,2-trifluoroacetic acid (CID 67959814) is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;2,2,2-trifluoroacetic acid is C=C(C)c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;2,2,2-trifluoroacetic acid?
The InChIKey is VGZYMRRSLIQUCQ-FERBBOLQSA-N. The full InChI is InChI=1S/C21H23N5O.C2HF3O2/c1-13(2)14-3-4-16-15(9-14)20(26-25-16)17-10-23-12-19(24-17)27-18-11-22-8-7-21(18)5-6-21;3-2(4,5)1(6)7/h3-4,9-10,12,18,22H,1,5-8,11H2,2H3,(H,25,26);(H,6,7)/t18-;/m0./s1.
What are the key properties of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;2,2,2-trifluoroacetic acid?
3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;2,2,2-trifluoroacetic acid has a molecular weight of 475.47 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 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-prop-1-en-2-yl-1H-indazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67959814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).