9-propan-2-yl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid

C18H27F3N4O2 — CID 155835572

IUPAC9-propan-2-yl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCC2(CCCN(c3cnccn3)C2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H26N4.C2HF3O2/c1-14(2)19-10-5-16(6-11-19)4-3-9-20(13-16)15-12-17-7-8-18-15;3-2(4,5)1(6)7/h7-8,12,14H,3-6,9-11,13H2,1-2H3;(H,6,7)
InChIKeyLORMOEHOWPMFNQ-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.20
Rot. Bonds2

About 9-propan-2-yl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid

9-propan-2-yl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid (PubChem CID 155835572) has the molecular formula C18H27F3N4O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 9-propan-2-yl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name9-propan-2-yl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
PubChem CID155835572
Molecular FormulaC18H27F3N4O2
Molecular Weight388.43 g/mol
Exact Mass388.21
IUPAC Name9-propan-2-yl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCC2(CCCN(c3cnccn3)C2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H26N4.C2HF3O2/c1-14(2)19-10-5-16(6-11-19)4-3-9-20(13-16)15-12-17-7-8-18-15;3-2(4,5)1(6)7/h7-8,12,14H,3-6,9-11,13H2,1-2H3;(H,6,7)
InChIKeyLORMOEHOWPMFNQ-UHFFFAOYSA-N
XLogP3.20
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid?
The IUPAC name of 9-propan-2-yl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid (CID 155835572) is 9-propan-2-yl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 9-propan-2-yl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 9-propan-2-yl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid is CC(C)N1CCC2(CCCN(c3cnccn3)C2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 9-propan-2-yl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid?
The InChIKey is LORMOEHOWPMFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4.C2HF3O2/c1-14(2)19-10-5-16(6-11-19)4-3-9-20(13-16)15-12-17-7-8-18-15;3-2(4,5)1(6)7/h7-8,12,14H,3-6,9-11,13H2,1-2H3;(H,6,7).
What are the key properties of 9-propan-2-yl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid?
9-propan-2-yl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid has a molecular weight of 388.43 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155835572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).