[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-ylindazol-1-yl] 2,2,2-trifluoroacetate

C23H22F3N5O3 — CID 67959817

IUPAC[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-ylindazol-1-yl] 2,2,2-trifluoroacetate
SMILESC=C(C)c1ccc2c(c1)c(-c1cncc(O[C@H]3CNCCC34CC4)n1)nn2OC(=O)C(F)(F)F
InChIInChI=1S/C23H22F3N5O3/c1-13(2)14-3-4-17-15(9-14)20(30-31(17)34-21(32)23(24,25)26)16-10-28-12-19(29-16)33-18-11-27-8-7-22(18)5-6-22/h3-4,9-10,12,18,27H,1,5-8,11H2,2H3/t18-/m0/s1
InChIKeyKOWPHMZNLJUXFB-SFHVURJKSA-N
MW473.46 g/mol
LogP3.56
Rot. Bonds5

About [3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-ylindazol-1-yl] 2,2,2-trifluoroacetate

[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-ylindazol-1-yl] 2,2,2-trifluoroacetate (PubChem CID 67959817) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 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-ylindazol-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-ylindazol-1-yl] 2,2,2-trifluoroacetate
PubChem CID67959817
Molecular FormulaC23H22F3N5O3
Molecular Weight473.46 g/mol
Exact Mass473.17
IUPAC Name[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-ylindazol-1-yl] 2,2,2-trifluoroacetate
SMILESC=C(C)c1ccc2c(c1)c(-c1cncc(O[C@H]3CNCCC34CC4)n1)nn2OC(=O)C(F)(F)F
InChIInChI=1S/C23H22F3N5O3/c1-13(2)14-3-4-17-15(9-14)20(30-31(17)34-21(32)23(24,25)26)16-10-28-12-19(29-16)33-18-11-27-8-7-22(18)5-6-22/h3-4,9-10,12,18,27H,1,5-8,11H2,2H3/t18-/m0/s1
InChIKeyKOWPHMZNLJUXFB-SFHVURJKSA-N
XLogP3.56
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-ylindazol-1-yl] 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-ylindazol-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-ylindazol-1-yl] 2,2,2-trifluoroacetate (CID 67959817) is [3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-ylindazol-1-yl] 2,2,2-trifluoroacetate.
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-ylindazol-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-ylindazol-1-yl] 2,2,2-trifluoroacetate is C=C(C)c1ccc2c(c1)c(-c1cncc(O[C@H]3CNCCC34CC4)n1)nn2OC(=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-ylindazol-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is KOWPHMZNLJUXFB-SFHVURJKSA-N. The full InChI is InChI=1S/C23H22F3N5O3/c1-13(2)14-3-4-17-15(9-14)20(30-31(17)34-21(32)23(24,25)26)16-10-28-12-19(29-16)33-18-11-27-8-7-22(18)5-6-22/h3-4,9-10,12,18,27H,1,5-8,11H2,2H3/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-ylindazol-1-yl] 2,2,2-trifluoroacetate?
[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-ylindazol-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 473.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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-ylindazol-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 67959817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).