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

C28H25F12N5O7 — CID 86709785

IUPAC3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1H-indazole;tris(2,2,2-trifluoroacetic acid)
SMILESFC(F)(F)C1(c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C22H22F3N5O.3C2HF3O2/c23-22(24,25)21(5-6-21)13-1-2-15-14(9-13)19(30-29-15)16-10-27-12-18(28-16)31-17-11-26-8-7-20(17)3-4-20;3*3-2(4,5)1(6)7/h1-2,9-10,12,17,26H,3-8,11H2,(H,29,30);3*(H,6,7)/t17-;;;/m0.../s1
InChIKeyRFTNXFAVPRFVDB-FCQHKQNSSA-N
MW771.51 g/mol
LogP6.03
Rot. Bonds4

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

3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1H-indazole;tris(2,2,2-trifluoroacetic acid) (PubChem CID 86709785) has the molecular formula C28H25F12N5O7 and a molecular weight of 771.51 g/mol. Its IUPAC name is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1H-indazole;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1H-indazole;tris(2,2,2-trifluoroacetic acid)
PubChem CID86709785
Molecular FormulaC28H25F12N5O7
Molecular Weight771.51 g/mol
Exact Mass771.16
IUPAC Name3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1H-indazole;tris(2,2,2-trifluoroacetic acid)
SMILESFC(F)(F)C1(c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C22H22F3N5O.3C2HF3O2/c23-22(24,25)21(5-6-21)13-1-2-15-14(9-13)19(30-29-15)16-10-27-12-18(28-16)31-17-11-26-8-7-20(17)3-4-20;3*3-2(4,5)1(6)7/h1-2,9-10,12,17,26H,3-8,11H2,(H,29,30);3*(H,6,7)/t17-;;;/m0.../s1
InChIKeyRFTNXFAVPRFVDB-FCQHKQNSSA-N
XLogP6.03
TPSA187.62 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.51
LogP ≤ 56.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1H-indazole;tris(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

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
3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(4-fluoro-3-pyridinyl)-1H-indazole
CID 118725607
3-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-N-cyclopropylbenzamide
CID 67960606
5-(2,6-difluorophenyl)-3-[6-[(3R)-4,4-dimethylpiperidin-3-yl]oxypyrazin-2-yl]-1H-indazole
CID 67959780
3-[6-[[(8R)-5-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole
CID 57384133
5-phenyl-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
CID 67960084
5-(2,6-difluorophenyl)-3-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1H-indazole;bis(2,2,2-trifluoroacetic acid)
CID 88532891
5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole
CID 67959597
5-(5-fluoro-3-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
CID 67960267
5-(2,6-difluorophenyl)-3-[6-[(3S,4S)-4-methylpiperidin-3-yl]oxypyrazin-2-yl]-1H-indazole
CID 67959616
3-(6-piperidin-3-yloxypyrazin-2-yl)-5-pyridazin-3-yl-1H-indazole
CID 67960106
5-(6-methoxy-2-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
CID 67960019

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-(trifluoromethyl)cyclopropyl]-1H-indazole;tris(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-(trifluoromethyl)cyclopropyl]-1H-indazole;tris(2,2,2-trifluoroacetic acid) (CID 86709785) is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1H-indazole;tris(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-(trifluoromethyl)cyclopropyl]-1H-indazole;tris(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-(trifluoromethyl)cyclopropyl]-1H-indazole;tris(2,2,2-trifluoroacetic acid) is FC(F)(F)C1(c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.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-(trifluoromethyl)cyclopropyl]-1H-indazole;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is RFTNXFAVPRFVDB-FCQHKQNSSA-N. The full InChI is InChI=1S/C22H22F3N5O.3C2HF3O2/c23-22(24,25)21(5-6-21)13-1-2-15-14(9-13)19(30-29-15)16-10-27-12-18(28-16)31-17-11-26-8-7-20(17)3-4-20;3*3-2(4,5)1(6)7/h1-2,9-10,12,17,26H,3-8,11H2,(H,29,30);3*(H,6,7)/t17-;;;/m0.../s1.
What are the key properties of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1H-indazole;tris(2,2,2-trifluoroacetic acid)?
3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1H-indazole;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 771.51 g/mol, XLogP of 6.03, 4 rotatable bonds, 5 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-(trifluoromethyl)cyclopropyl]-1H-indazole;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 86709785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).