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

C24H24F3N5O3 — CID 67959698

IUPAC[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)indazol-1-yl] 2,2,2-trifluoroacetate
SMILESCC1(c2ccc3c(c2)c(-c2cncc(O[C@H]4CNCCC45CC5)n2)nn3OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C24H24F3N5O3/c1-22(4-5-22)14-2-3-17-15(10-14)20(31-32(17)35-21(33)24(25,26)27)16-11-29-13-19(30-16)34-18-12-28-9-8-23(18)6-7-23/h2-3,10-11,13,18,28H,4-9,12H2,1H3/t18-/m0/s1
InChIKeyAGGZEGGYHPXRLG-SFHVURJKSA-N
MW487.48 g/mol
LogP3.58
Rot. Bonds5

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

[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)indazol-1-yl] 2,2,2-trifluoroacetate (PubChem CID 67959698) has the molecular formula C24H24F3N5O3 and a molecular weight of 487.48 g/mol. Its IUPAC name is [3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)indazol-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-(1-methylcyclopropyl)indazol-1-yl] 2,2,2-trifluoroacetate
PubChem CID67959698
Molecular FormulaC24H24F3N5O3
Molecular Weight487.48 g/mol
Exact Mass487.18
IUPAC Name[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)indazol-1-yl] 2,2,2-trifluoroacetate
SMILESCC1(c2ccc3c(c2)c(-c2cncc(O[C@H]4CNCCC45CC5)n2)nn3OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C24H24F3N5O3/c1-22(4-5-22)14-2-3-17-15(10-14)20(31-32(17)35-21(33)24(25,26)27)16-11-29-13-19(30-16)34-18-12-28-9-8-23(18)6-7-23/h2-3,10-11,13,18,28H,4-9,12H2,1H3/t18-/m0/s1
InChIKeyAGGZEGGYHPXRLG-SFHVURJKSA-N
XLogP3.58
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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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-(1-methylcyclopropyl)indazol-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-(1-methylcyclopropyl)indazol-1-yl] 2,2,2-trifluoroacetate (CID 67959698) is [3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)indazol-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-(1-methylcyclopropyl)indazol-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-(1-methylcyclopropyl)indazol-1-yl] 2,2,2-trifluoroacetate is CC1(c2ccc3c(c2)c(-c2cncc(O[C@H]4CNCCC45CC5)n2)nn3OC(=O)C(F)(F)F)CC1.
What is the InChIKey of [3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)indazol-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is AGGZEGGYHPXRLG-SFHVURJKSA-N. The full InChI is InChI=1S/C24H24F3N5O3/c1-22(4-5-22)14-2-3-17-15(10-14)20(31-32(17)35-21(33)24(25,26)27)16-11-29-13-19(30-16)34-18-12-28-9-8-23(18)6-7-23/h2-3,10-11,13,18,28H,4-9,12H2,1H3/t18-/m0/s1.
What are the key properties of [3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)indazol-1-yl] 2,2,2-trifluoroacetate?
[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)indazol-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 487.48 g/mol, XLogP of 3.58, 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-(1-methylcyclopropyl)indazol-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 67959698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).