pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone;2,2,2-trifluoroacetic acid

C19H21F3N6O3 — CID 118745302

IUPACpyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cnccn1)N1CCCC2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C17H20N6O.C2HF3O2/c24-15(14-11-18-7-8-19-14)22-9-1-3-17(12-22)4-10-23(13-17)16-20-5-2-6-21-16;3-2(4,5)1(6)7/h2,5-8,11H,1,3-4,9-10,12-13H2;(H,6,7)
InChIKeyUVLGREOHRMAMRV-UHFFFAOYSA-N
MW438.41 g/mol
LogP2.03
Rot. Bonds2

About pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone;2,2,2-trifluoroacetic acid

pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 118745302) has the molecular formula C19H21F3N6O3 and a molecular weight of 438.41 g/mol. Its IUPAC name is pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID118745302
Molecular FormulaC19H21F3N6O3
Molecular Weight438.41 g/mol
Exact Mass438.16
IUPAC Namepyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cnccn1)N1CCCC2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C17H20N6O.C2HF3O2/c24-15(14-11-18-7-8-19-14)22-9-1-3-17(12-22)4-10-23(13-17)16-20-5-2-6-21-16;3-2(4,5)1(6)7/h2,5-8,11H,1,3-4,9-10,12-13H2;(H,6,7)
InChIKeyUVLGREOHRMAMRV-UHFFFAOYSA-N
XLogP2.03
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone;2,2,2-trifluoroacetic acid (CID 118745302) is pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1cnccn1)N1CCCC2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is UVLGREOHRMAMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O.C2HF3O2/c24-15(14-11-18-7-8-19-14)22-9-1-3-17(12-22)4-10-23(13-17)16-20-5-2-6-21-16;3-2(4,5)1(6)7/h2,5-8,11H,1,3-4,9-10,12-13H2;(H,6,7).
What are the key properties of pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone;2,2,2-trifluoroacetic acid?
pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 438.41 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118745302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).