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

C24H26F3N5O3 — CID 67959696

IUPAC3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)-1H-indazole;2,2,2-trifluoroacetic acid
SMILESCC1(c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H25N5O.C2HF3O2/c1-21(4-5-21)14-2-3-16-15(10-14)20(27-26-16)17-11-24-13-19(25-17)28-18-12-23-9-8-22(18)6-7-22;3-2(4,5)1(6)7/h2-3,10-11,13,18,23H,4-9,12H2,1H3,(H,26,27);(H,6,7)/t18-;/m0./s1
InChIKeyFMTPIHWOBBHWTN-FERBBOLQSA-N
MW489.50 g/mol
LogP4.23
Rot. Bonds4

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

3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)-1H-indazole;2,2,2-trifluoroacetic acid (PubChem CID 67959696) has the molecular formula C24H26F3N5O3 and a molecular weight of 489.50 g/mol. Its IUPAC name is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)-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-(1-methylcyclopropyl)-1H-indazole;2,2,2-trifluoroacetic acid
PubChem CID67959696
Molecular FormulaC24H26F3N5O3
Molecular Weight489.50 g/mol
Exact Mass489.20
IUPAC Name3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)-1H-indazole;2,2,2-trifluoroacetic acid
SMILESCC1(c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H25N5O.C2HF3O2/c1-21(4-5-21)14-2-3-16-15(10-14)20(27-26-16)17-11-24-13-19(25-17)28-18-12-23-9-8-22(18)6-7-22;3-2(4,5)1(6)7/h2-3,10-11,13,18,23H,4-9,12H2,1H3,(H,26,27);(H,6,7)/t18-;/m0./s1
InChIKeyFMTPIHWOBBHWTN-FERBBOLQSA-N
XLogP4.23
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)-1H-indazole;2,2,2-trifluoroacetic acid 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)-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-(1-methylcyclopropyl)-1H-indazole;2,2,2-trifluoroacetic acid (CID 67959696) is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)-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-(1-methylcyclopropyl)-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-(1-methylcyclopropyl)-1H-indazole;2,2,2-trifluoroacetic acid is CC1(c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)CC1.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-(1-methylcyclopropyl)-1H-indazole;2,2,2-trifluoroacetic acid?
The InChIKey is FMTPIHWOBBHWTN-FERBBOLQSA-N. The full InChI is InChI=1S/C22H25N5O.C2HF3O2/c1-21(4-5-21)14-2-3-16-15(10-14)20(27-26-16)17-11-24-13-19(25-17)28-18-12-23-9-8-22(18)6-7-22;3-2(4,5)1(6)7/h2-3,10-11,13,18,23H,4-9,12H2,1H3,(H,26,27);(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-(1-methylcyclopropyl)-1H-indazole;2,2,2-trifluoroacetic acid?
3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(1-methylcyclopropyl)-1H-indazole;2,2,2-trifluoroacetic acid has a molecular weight of 489.50 g/mol, XLogP of 4.23, 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-(1-methylcyclopropyl)-1H-indazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67959696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).