pyrazin-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid

C19H21F3N6O3 — CID 155835264

IUPACpyrazin-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cnccn1)N1CCC2(CC1)CCN(c1ncccn1)C2
InChIInChI=1S/C17H20N6O.C2HF3O2/c24-15(14-12-18-7-8-19-14)22-9-2-17(3-10-22)4-11-23(13-17)16-20-5-1-6-21-16;3-2(4,5)1(6)7/h1,5-8,12H,2-4,9-11,13H2;(H,6,7)
InChIKeySTGLOZJLOABSAR-UHFFFAOYSA-N
MW438.41 g/mol
LogP2.03
Rot. Bonds2

About pyrazin-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid

pyrazin-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155835264) 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-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyrazin-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155835264
Molecular FormulaC19H21F3N6O3
Molecular Weight438.41 g/mol
Exact Mass438.16
IUPAC Namepyrazin-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cnccn1)N1CCC2(CC1)CCN(c1ncccn1)C2
InChIInChI=1S/C17H20N6O.C2HF3O2/c24-15(14-12-18-7-8-19-14)22-9-2-17(3-10-22)4-11-23(13-17)16-20-5-1-6-21-16;3-2(4,5)1(6)7/h1,5-8,12H,2-4,9-11,13H2;(H,6,7)
InChIKeySTGLOZJLOABSAR-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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Launch Full Analysis

Related Compounds

Pyrazin-2-yl(9-(pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 3234174
Pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 3234891
Pyrazin-2-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3232961
pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235354
N-{[1-(pyrimidin-2-yl)piperidin-4-yl]methyl}pyrazine-2-carboxamide
CID 49687691
2-Ethyl-9-(imidazo[1,2-a]pyrimidin-2-ylcarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72873354
Pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 78312664
(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone
CID 118742709
[2-(5-Fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 97449628
(9-Methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(3-methylimidazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 118742580
(3-Methylimidazol-4-yl)-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 118742589
(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 118742708

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of pyrazin-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid (CID 155835264) is pyrazin-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyrazin-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyrazin-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1cnccn1)N1CCC2(CC1)CCN(c1ncccn1)C2.
What is the InChIKey of pyrazin-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is STGLOZJLOABSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O.C2HF3O2/c24-15(14-12-18-7-8-19-14)22-9-2-17(3-10-22)4-11-23(13-17)16-20-5-1-6-21-16;3-2(4,5)1(6)7/h1,5-8,12H,2-4,9-11,13H2;(H,6,7).
What are the key properties of pyrazin-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid?
pyrazin-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-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-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155835264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).