2-benzyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;2-butyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1,2-dimethyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperidin-1-ylpurin-6-one;ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)acetate;pentakis(2,2,2-trifluoroacetic acid)

C109H130F15N25O17 — CID 157076660

IUPAC2-benzyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;2-butyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1,2-dimethyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperidin-1-ylpurin-6-one;ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)acetate;pentakis(2,2,2-trifluoroacetic acid)
SMILESCC#CCn1c(N2CCCCC2)nc2nc(C)n(C)c(=O)c21.CC#CCn1c(N2CCCCC2)nc2nc(CC(=O)OCC)n(C)c(=O)c21.CC#CCn1c(N2CCCCC2)nc2nc(CCCC)n(C)c(=O)c21.CC#CCn1c(N2CCCCC2)nc2nc(CCc3ccccc3)n(C)c(=O)c21.CC#CCn1c(N2CCCCC2)nc2nc(Cc3ccccc3)n(C)c(=O)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C23H27N5O.C22H25N5O.C19H25N5O3.C19H27N5O.C16H21N5O.5C2HF3O2/c1-3-4-17-28-20-21(25-23(28)27-15-9-6-10-16-27)24-19(26(2)22(20)29)14-13-18-11-7-5-8-12-18;1-3-4-15-27-19-20(24-22(27)26-13-9-6-10-14-26)23-18(25(2)21(19)28)16-17-11-7-5-8-12-17;1-4-6-12-24-16-17(21-19(24)23-10-8-7-9-11-23)20-14(22(3)18(16)26)13-15(25)27-5-2;1-4-6-11-15-20-17-16(18(25)22(15)3)24(14-7-5-2)19(21-17)23-12-9-8-10-13-23;1-4-5-11-21-13-14(17-12(2)19(3)15(13)22)18-16(21)20-9-7-6-8-10-20;5*3-2(4,5)1(6)7/h5,7-8,11-12H,6,9-10,13-17H2,1-2H3;5,7-8,11-12H,6,9-10,13-16H2,1-2H3;5,7-13H2,1-3H3;4,6,8-14H2,1-3H3;6-11H2,1-3H3;5*(H,6,7)
InChIKeyMZVSEQBTDJGRGB-UHFFFAOYSA-N
MW2347.37 g/mol
LogP14.02
Rot. Bonds21

About 2-benzyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;2-butyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1,2-dimethyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperidin-1-ylpurin-6-one;ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)acetate;pentakis(2,2,2-trifluoroacetic acid)

2-benzyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;2-butyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1,2-dimethyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperidin-1-ylpurin-6-one;ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)acetate;pentakis(2,2,2-trifluoroacetic acid) (PubChem CID 157076660) has the molecular formula C109H130F15N25O17 and a molecular weight of 2347.37 g/mol. Its IUPAC name is 2-benzyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;2-butyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1,2-dimethyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperidin-1-ylpurin-6-one;ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)acetate;pentakis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-benzyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;2-butyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1,2-dimethyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperidin-1-ylpurin-6-one;ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)acetate;pentakis(2,2,2-trifluoroacetic acid)
PubChem CID157076660
Molecular FormulaC109H130F15N25O17
Molecular Weight2347.37 g/mol
Exact Mass2345.98
IUPAC Name2-benzyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;2-butyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1,2-dimethyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperidin-1-ylpurin-6-one;ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)acetate;pentakis(2,2,2-trifluoroacetic acid)
SMILESCC#CCn1c(N2CCCCC2)nc2nc(C)n(C)c(=O)c21.CC#CCn1c(N2CCCCC2)nc2nc(CC(=O)OCC)n(C)c(=O)c21.CC#CCn1c(N2CCCCC2)nc2nc(CCCC)n(C)c(=O)c21.CC#CCn1c(N2CCCCC2)nc2nc(CCc3ccccc3)n(C)c(=O)c21.CC#CCn1c(N2CCCCC2)nc2nc(Cc3ccccc3)n(C)c(=O)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C23H27N5O.C22H25N5O.C19H25N5O3.C19H27N5O.C16H21N5O.5C2HF3O2/c1-3-4-17-28-20-21(25-23(28)27-15-9-6-10-16-27)24-19(26(2)22(20)29)14-13-18-11-7-5-8-12-18;1-3-4-15-27-19-20(24-22(27)26-13-9-6-10-14-26)23-18(25(2)21(19)28)16-17-11-7-5-8-12-17;1-4-6-12-24-16-17(21-19(24)23-10-8-7-9-11-23)20-14(22(3)18(16)26)13-15(25)27-5-2;1-4-6-11-15-20-17-16(18(25)22(15)3)24(14-7-5-2)19(21-17)23-12-9-8-10-13-23;1-4-5-11-21-13-14(17-12(2)19(3)15(13)22)18-16(21)20-9-7-6-8-10-20;5*3-2(4,5)1(6)7/h5,7-8,11-12H,6,9-10,13-17H2,1-2H3;5,7-8,11-12H,6,9-10,13-16H2,1-2H3;5,7-13H2,1-3H3;4,6,8-14H2,1-3H3;6-11H2,1-3H3;5*(H,6,7)
InChIKeyMZVSEQBTDJGRGB-UHFFFAOYSA-N
XLogP14.02
TPSA492.55 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds21
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002347.37
LogP ≤ 514.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-benzyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;2-butyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1,2-dimethyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperidin-1-ylpurin-6-one;ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)acetate;pentakis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[7-benzyl-2,6-dioxo-1-(2-phenylethyl)purin-3-yl]methyl 2,2-dimethylpropanoate;tert-butyl 4-[7-but-2-ynyl-2-chloro-6-oxo-1-(2-phenylethyl)purin-8-yl]piperazine-1-carboxylate;tert-butyl 4-[7-but-2-ynyl-2,6-dioxo-1-(2-phenylethyl)-3H-purin-8-yl]piperazine-1-carboxylate;[7-but-2-ynyl-8-chloro-2,6-dioxo-1-(2-phenylethyl)purin-3-yl]methyl 2,2-dimethylpropanoate;7-but-2-ynyl-2-methoxy-1-(2-phenylethyl)-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;2,2,2-trifluoroacetic acid;hydrochloride
CID 157065058
Tert-butyl 4-[7-but-2-ynyl-3-(2,2-dimethylpropanoyloxymethyl)-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;7-but-2-ynyl-3-(2-ethoxyethyl)-1-phenacyl-8-piperazin-1-ylpurine-2,6-dione;methyl 2-(7-but-2-ynyl-2,6-dioxo-1-phenacyl-8-piperazin-1-ylpurin-3-yl)acetate;methyl 2-[7-but-2-ynyl-1-(2-ethoxyethyl)-2,6-dioxo-8-piperazin-1-ylpurin-3-yl]acetate;tris(2,2,2-trifluoroacetic acid)
CID 157575498
2-Amino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(dimethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(methylamino)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-phenyl-8-piperazin-1-ylpurin-6-one;tetrakis(2,2,2-trifluoroacetic acid)
CID 157700896
2-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-5-methyl-7H-imidazo[1,2-a]purine-6,9-dione;2-[(3R)-3-aminopiperidin-1-yl]-1-[(2,5-difluorophenyl)methyl]-5-methyl-7H-imidazo[1,2-a]purine-6,9-dione;2-[(3R)-3-aminopiperidin-1-yl]-1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-7H-imidazo[1,2-a]purine-6,9-dione;2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-7H-imidazo[1,2-a]purin-1-yl]methyl]benzonitrile;2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-7H-imidazo[1,2-a]purin-1-yl]methyl]-4-fluorobenzonitrile
CID 158603969
7-Benzyl-1-(2-methoxyethyl)-8-piperidin-1-ylpurin-6-one;2-(7-benzyl-6-oxo-8-piperidin-1-ylpurin-1-yl)acetonitrile;7-benzyl-8-piperidin-1-yl-1-prop-2-ynylpurin-6-one;ethyl 2-(7-benzyl-6-oxo-8-piperidin-1-ylpurin-1-yl)acetate;ethyl 2-bromo-3-but-2-ynyl-5-cyanoimidazole-4-carboxylate;tetrakis(2,2,2-trifluoroacetic acid)
CID 158786699
2-Amino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(dimethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(methylamino)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-phenyl-8-piperazin-1-ylpurin-6-one;pentakis(2,2,2-trifluoroacetic acid)
CID 158983310
7-benzyl-1-ethyl-8-piperidin-1-ylpurin-6-one;7-benzyl-1-methyl-8-piperidin-1-ylpurin-6-one;7-benzyl-1H-purin-6-one;tert-butyl 4-(7-benzyl-6-oxo-1H-purin-8-yl)piperazine-1-carboxylate;7-but-2-ynyl-2-methoxy-1-(2-methoxyethyl)-8-piperidin-1-ylpurin-6-one;bis(2,2,2-trifluoroacetic acid);hydrochloride
CID 159017152
tert-butyl 4-(7-but-2-ynyl-2-chloro-6-oxo-1H-purin-8-yl)piperazine-1-carboxylate;7-but-2-ynyl-2-chloro-8-piperazin-1-yl-1H-purin-6-one;7-but-2-ynyl-2-(dimethylamino)-1-(2-phenylethyl)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(2-hydroxyethoxy)-1-(2-phenylethyl)-8-piperazin-1-ylpurin-6-one;ethyl 2-[[7-but-2-ynyl-6-oxo-1-(2-phenylethyl)-8-piperazin-1-ylpurin-2-yl]-methylamino]acetate;methyl 2-[7-but-2-ynyl-6-oxo-1-(2-phenylethyl)-8-piperazin-1-ylpurin-2-yl]oxyacetate;2,2,2-trifluoroacetic acid;tetrahydrochloride
CID 159237730
7-But-2-ynyl-1-methyl-3-(2-oxooxolan-3-yl)-8-piperazin-1-ylpurine-2,6-dione;7-but-2-ynyl-1-methyl-3-phenacyl-8-piperazin-1-ylpurine-2,6-dione;7-but-2-ynyl-1-methyl-8-piperazin-1-yl-3-propylpurine-2,6-dione;ethyl 2-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl)propanoate;tetrakis(2,2,2-trifluoroacetic acid)
CID 159348240
[7-Benzyl-2,6-dioxo-1-(2-phenylethyl)purin-3-yl]methyl 2,2-dimethylpropanoate;tert-butyl 4-(7-but-2-ynyl-2-carbamoyl-1-methyl-6-oxopurin-8-yl)piperazine-1-carboxylate;7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurine-2-carboxamide;7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurine-2-carboxylic acid;7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;bis(2,2,2-trifluoroacetic acid)
CID 159371196
3-Benzyl-5-(2-hydroxyethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one;3-benzyl-5-(2-methoxyethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one;2-(3-benzyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)acetonitrile;3-benzyl-2-piperazin-1-yl-5-prop-2-ynylimidazo[4,5-d]pyridazin-4-one;ethyl 2-(3-benzyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)acetate;pentakis(2,2,2-trifluoroacetic acid)
CID 159523735
2-Amino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(dimethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(methylamino)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-phenyl-8-piperazin-1-ylpurin-6-one;ethyl 2-[(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)amino]acetate;pentakis(2,2,2-trifluoroacetic acid)
CID 159653250

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;2-butyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1,2-dimethyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperidin-1-ylpurin-6-one;ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)acetate;pentakis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-benzyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;2-butyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1,2-dimethyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperidin-1-ylpurin-6-one;ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)acetate;pentakis(2,2,2-trifluoroacetic acid) (CID 157076660) is 2-benzyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;2-butyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1,2-dimethyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperidin-1-ylpurin-6-one;ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)acetate;pentakis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-benzyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;2-butyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1,2-dimethyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperidin-1-ylpurin-6-one;ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)acetate;pentakis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-benzyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;2-butyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1,2-dimethyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperidin-1-ylpurin-6-one;ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)acetate;pentakis(2,2,2-trifluoroacetic acid) is CC#CCn1c(N2CCCCC2)nc2nc(C)n(C)c(=O)c21.CC#CCn1c(N2CCCCC2)nc2nc(CC(=O)OCC)n(C)c(=O)c21.CC#CCn1c(N2CCCCC2)nc2nc(CCCC)n(C)c(=O)c21.CC#CCn1c(N2CCCCC2)nc2nc(CCc3ccccc3)n(C)c(=O)c21.CC#CCn1c(N2CCCCC2)nc2nc(Cc3ccccc3)n(C)c(=O)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.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 2-benzyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;2-butyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1,2-dimethyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperidin-1-ylpurin-6-one;ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)acetate;pentakis(2,2,2-trifluoroacetic acid)?
The InChIKey is MZVSEQBTDJGRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O.C22H25N5O.C19H25N5O3.C19H27N5O.C16H21N5O.5C2HF3O2/c1-3-4-17-28-20-21(25-23(28)27-15-9-6-10-16-27)24-19(26(2)22(20)29)14-13-18-11-7-5-8-12-18;1-3-4-15-27-19-20(24-22(27)26-13-9-6-10-14-26)23-18(25(2)21(19)28)16-17-11-7-5-8-12-17;1-4-6-12-24-16-17(21-19(24)23-10-8-7-9-11-23)20-14(22(3)18(16)26)13-15(25)27-5-2;1-4-6-11-15-20-17-16(18(25)22(15)3)24(14-7-5-2)19(21-17)23-12-9-8-10-13-23;1-4-5-11-21-13-14(17-12(2)19(3)15(13)22)18-16(21)20-9-7-6-8-10-20;5*3-2(4,5)1(6)7/h5,7-8,11-12H,6,9-10,13-17H2,1-2H3;5,7-8,11-12H,6,9-10,13-16H2,1-2H3;5,7-13H2,1-3H3;4,6,8-14H2,1-3H3;6-11H2,1-3H3;5*(H,6,7).
What are the key properties of 2-benzyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;2-butyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1,2-dimethyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperidin-1-ylpurin-6-one;ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)acetate;pentakis(2,2,2-trifluoroacetic acid)?
2-benzyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;2-butyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1,2-dimethyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperidin-1-ylpurin-6-one;ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)acetate;pentakis(2,2,2-trifluoroacetic acid) has a molecular weight of 2347.37 g/mol, XLogP of 14.02, 21 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;2-butyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1,2-dimethyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperidin-1-ylpurin-6-one;ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)acetate;pentakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 157076660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).