pyrazin-2-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid

C21H23F3N4O3 — CID 154924431

IUPACpyrazin-2-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cnccn1)N1CCN(C2CCc3ccccc3C2)CC1
InChIInChI=1S/C19H22N4O.C2HF3O2/c24-19(18-14-20-7-8-21-18)23-11-9-22(10-12-23)17-6-5-15-3-1-2-4-16(15)13-17;3-2(4,5)1(6)7/h1-4,7-8,14,17H,5-6,9-13H2;(H,6,7)
InChIKeyXSNNZURAWSMDAB-UHFFFAOYSA-N
MW436.43 g/mol
LogP2.43
Rot. Bonds2

About pyrazin-2-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid

pyrazin-2-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 154924431) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is pyrazin-2-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyrazin-2-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID154924431
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC Namepyrazin-2-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cnccn1)N1CCN(C2CCc3ccccc3C2)CC1
InChIInChI=1S/C19H22N4O.C2HF3O2/c24-19(18-14-20-7-8-21-18)23-11-9-22(10-12-23)17-6-5-15-3-1-2-4-16(15)13-17;3-2(4,5)1(6)7/h1-4,7-8,14,17H,5-6,9-13H2;(H,6,7)
InChIKeyXSNNZURAWSMDAB-UHFFFAOYSA-N
XLogP2.43
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95718041
[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 56904168
(1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95720627
quinoxalin-5-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95725882
(5-methyl-1H-imidazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95469001
(6-amino-3-pyridinyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95725486
[4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 66203494
[2-(methylamino)-4-pyridinyl]-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95722811
[2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56908104
2-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carbonyl]amino]acetic acid
CID 126434125
(8-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95709770
1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95706821

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of pyrazin-2-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid (CID 154924431) is pyrazin-2-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyrazin-2-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyrazin-2-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1cnccn1)N1CCN(C2CCc3ccccc3C2)CC1.
What is the InChIKey of pyrazin-2-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is XSNNZURAWSMDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.C2HF3O2/c24-19(18-14-20-7-8-21-18)23-11-9-22(10-12-23)17-6-5-15-3-1-2-4-16(15)13-17;3-2(4,5)1(6)7/h1-4,7-8,14,17H,5-6,9-13H2;(H,6,7).
What are the key properties of pyrazin-2-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid?
pyrazin-2-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 436.43 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154924431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).