8-(2-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-8-(4-methoxyphenyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenyl]-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione

C137H136Cl4F5N27O20 — CID 160629061

IUPAC8-(2-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-8-(4-methoxyphenyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenyl]-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione
SMILESCC(C)c1cccc(-c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2Cc2ccc(F)cc2)c1.COc1ccc(-c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2Cc2ccc(Cl)cn2)cc1.Cc1cccc(-c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2Cc2ccc(Cl)cn2)c1.Cc1cccc(-c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2Cc2ccc(F)cc2)c1.Cn1c(=O)n(CCCO)c(=O)c2c1nc(-c1cccc(OC(C)(F)F)c1)n2Cc1ccc(F)cc1.Cn1c(=O)n(CCCO)c(=O)c2c1nc(-c1ccccc1Cl)n2Cc1ccc(Cl)cn1
InChIInChI=1S/C25H27FN4O3.C24H23F3N4O4.C23H23FN4O3.C22H22ClN5O4.C22H22ClN5O3.C21H19Cl2N5O3/c1-16(2)18-6-4-7-19(14-18)22-27-23-21(30(22)15-17-8-10-20(26)11-9-17)24(32)29(12-5-13-31)25(33)28(23)3;1-24(26,27)35-18-6-3-5-16(13-18)20-28-21-19(31(20)14-15-7-9-17(25)10-8-15)22(33)30(11-4-12-32)23(34)29(21)2;1-15-5-3-6-17(13-15)20-25-21-19(28(20)14-16-7-9-18(24)10-8-16)22(30)27(11-4-12-29)23(31)26(21)2;1-26-20-18(21(30)27(22(26)31)10-3-11-29)28(13-16-7-6-15(23)12-24-16)19(25-20)14-4-8-17(32-2)9-5-14;1-14-5-3-6-15(11-14)19-25-20-18(28(19)13-17-8-7-16(23)12-24-17)21(30)27(9-4-10-29)22(31)26(20)2;1-26-19-17(20(30)27(21(26)31)9-4-10-29)28(12-14-8-7-13(22)11-24-14)18(25-19)15-5-2-3-6-16(15)23/h4,6-11,14,16,31H,5,12-13,15H2,1-3H3;3,5-10,13,32H,4,11-12,14H2,1-2H3;3,5-10,13,29H,4,11-12,14H2,1-2H3;4-9,12,29H,3,10-11,13H2,1-2H3;3,5-8,11-12,29H,4,9-10,13H2,1-2H3;2-3,5-8,11,29H,4,9-10,12H2,1H3
InChIKeyRHROEBUHZBVTBP-UHFFFAOYSA-N
MW2717.57 g/mol
LogP15.92
Rot. Bonds40

About 8-(2-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-8-(4-methoxyphenyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenyl]-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione

8-(2-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-8-(4-methoxyphenyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenyl]-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione (PubChem CID 160629061) has the molecular formula C137H136Cl4F5N27O20 and a molecular weight of 2717.57 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-8-(4-methoxyphenyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenyl]-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione.

Molecular Properties

Compound Name8-(2-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-8-(4-methoxyphenyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenyl]-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione
PubChem CID160629061
Molecular FormulaC137H136Cl4F5N27O20
Molecular Weight2717.57 g/mol
Exact Mass2713.91
IUPAC Name8-(2-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-8-(4-methoxyphenyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenyl]-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione
SMILESCC(C)c1cccc(-c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2Cc2ccc(F)cc2)c1.COc1ccc(-c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2Cc2ccc(Cl)cn2)cc1.Cc1cccc(-c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2Cc2ccc(Cl)cn2)c1.Cc1cccc(-c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2Cc2ccc(F)cc2)c1.Cn1c(=O)n(CCCO)c(=O)c2c1nc(-c1cccc(OC(C)(F)F)c1)n2Cc1ccc(F)cc1.Cn1c(=O)n(CCCO)c(=O)c2c1nc(-c1ccccc1Cl)n2Cc1ccc(Cl)cn1
InChIInChI=1S/C25H27FN4O3.C24H23F3N4O4.C23H23FN4O3.C22H22ClN5O4.C22H22ClN5O3.C21H19Cl2N5O3/c1-16(2)18-6-4-7-19(14-18)22-27-23-21(30(22)15-17-8-10-20(26)11-9-17)24(32)29(12-5-13-31)25(33)28(23)3;1-24(26,27)35-18-6-3-5-16(13-18)20-28-21-19(31(20)14-15-7-9-17(25)10-8-15)22(33)30(11-4-12-32)23(34)29(21)2;1-15-5-3-6-17(13-15)20-25-21-19(28(20)14-16-7-9-18(24)10-8-16)22(30)27(11-4-12-29)23(31)26(21)2;1-26-20-18(21(30)27(22(26)31)10-3-11-29)28(13-16-7-6-15(23)12-24-16)19(25-20)14-4-8-17(32-2)9-5-14;1-14-5-3-6-15(11-14)19-25-20-18(28(19)13-17-8-7-16(23)12-24-17)21(30)27(9-4-10-29)22(31)26(20)2;1-26-19-17(20(30)27(21(26)31)9-4-10-29)28(12-14-8-7-13(22)11-24-14)18(25-19)15-5-2-3-6-16(15)23/h4,6-11,14,16,31H,5,12-13,15H2,1-3H3;3,5-10,13,32H,4,11-12,14H2,1-2H3;3,5-10,13,29H,4,11-12,14H2,1-2H3;4-9,12,29H,3,10-11,13H2,1-2H3;3,5-8,11-12,29H,4,9-10,13H2,1-2H3;2-3,5-8,11,29H,4,9-10,12H2,1H3
InChIKeyRHROEBUHZBVTBP-UHFFFAOYSA-N
XLogP15.92
TPSA549.43 Ų
H-Bond Donors6
H-Bond Acceptors47
Rotatable Bonds40
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002717.57
LogP ≤ 515.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1047

Analyze 8-(2-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-8-(4-methoxyphenyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenyl]-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione with MolForge

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Related Compounds

7-Benzyl-8-(6-cyclobutyloxy-2-methyl-3-pyridinyl)-3-ethyl-1-(3-hydroxypropyl)purine-2,6-dione;7-[(4-chloro-2-fluorophenyl)methyl]-8-(6-cyclobutyloxy-3-pyridinyl)-3-ethyl-1-(3-hydroxypropyl)purine-2,6-dione;8-(6-cyclobutyloxy-2-methyl-3-pyridinyl)-3-ethyl-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)purine-2,6-dione;8-(6-cyclobutyloxy-3-pyridinyl)-3-ethyl-1-(3-hydroxypropyl)-7-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-dione;3-ethyl-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-8-[6-(2-methylcyclobutyl)oxy-3-pyridinyl]purine-2,6-dione
CID 157194779
8-Butoxy-1-(3-hydroxypropyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione;8-[3-(1,1-difluoroethyl)phenyl]-1-(3-hydroxypropyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione;bis(1-(3-hydroxypropyl)-3-methyl-7-(3-methylbutyl)-8-(3-methylphenoxy)purine-2,6-dione);1-(3-hydroxypropyl)-3-methyl-7-(3-methylbutyl)-8-(3-methylphenyl)purine-2,6-dione;1-(3-hydroxypropyl)-3-methyl-7-(3-methylbutyl)-8-(2-propan-2-ylphenyl)purine-2,6-dione
CID 157575748
6-(3-Chlorophenyl)-3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1,7-dimethylpyrrolo[3,2-d]pyrimidine-2,4-dione;6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1,5-dimethylpyrrolo[3,2-d]pyrimidine-2,4-dione;6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1,7-dimethyl-5-[(4-methylphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1,5,7-trimethyl-6-[3-(2,2,2-trifluoroethyl)phenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 157751719
8-[3-(1,1-Difluoroethyl)phenyl]-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;8-(2-fluorophenyl)-1-(3-hydroxypropyl)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-8-(4-methoxyphenyl)-3-methylpurine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(4-methylphenyl)purine-2,6-dione;1-(3-hydroxypropyl)-3-methyl-8-(4-methylphenoxy)-7-[(4-methylphenyl)methyl]purine-2,6-dione;1-(3-hydroxypropyl)-3-methyl-7-[(4-methylphenyl)methyl]-8-[2-(trifluoromethyl)phenyl]purine-2,6-dione
CID 157945353
7-[1-(4-Chlorophenyl)ethyl]-8-[3-(1,1-difluoroethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[[3-(1,1-difluoroethoxy)phenyl]methoxy]-1,3-dimethylpurine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenoxy]-7-[[4-[(dimethylamino)methyl]phenyl]methyl]-1,3-dimethylpurine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethyl-7-(naphthalen-2-ylmethyl)purine-2,6-dione;7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-(4-pyridin-2-ylphenoxy)purine-2,6-dione
CID 158032762
2-[4-Chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]ethanol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]-3,3,3-trifluoropropan-1-ol;3-[2-chloro-5-[(2-methylpropan-2-yl)oxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;1-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;3-[2-chloro-5-(trifluoromethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 158120924
8-[2-(Cyclopropylmethoxy)-3-pyridinyl]-7-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-(3-hydroxypropyl)-3-propan-2-ylpurine-2,6-dione;8-[2-(cyclopropylmethoxy)-3-pyridinyl]-7-[(3,5-difluorophenyl)methyl]-1-(3-hydroxypropyl)-3-propan-2-ylpurine-2,6-dione;8-[2-(cyclopropylmethoxy)-3-pyridinyl]-7-[(3-fluoro-4-methylphenyl)methyl]-1-(3-hydroxypropyl)-3-propan-2-ylpurine-2,6-dione;8-[2-(cyclopropylmethoxy)-3-pyridinyl]-1-(3-hydroxypropyl)-7-[(4-methylphenyl)methyl]-3-propan-2-ylpurine-2,6-dione
CID 158260710
7-Benzyl-8-[3-(1,1-difluoroethoxy)phenoxy]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-benzyl-8-(2-ethylphenoxy)-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(2-propan-2-ylphenyl)purine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-[2-(trifluoromethoxy)phenyl]purine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenoxy]-7-[(5-fluoro-3-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenoxy]-1-(3-hydroxypropyl)-3-methyl-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]purine-2,6-dione
CID 158285003
8-(2-Chlorophenyl)-1-(3-hydroxypropyl)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(4-methylphenyl)purine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-phenylphenyl)purine-2,6-dione;1-(3-hydroxypropyl)-3-methyl-7-[(4-methylphenyl)methyl]-8-(2-propan-2-ylphenyl)purine-2,6-dione;1-(3-hydroxypropyl)-3-methyl-7-[(4-methylphenyl)methyl]-8-[2-(trifluoromethoxy)phenyl]purine-2,6-dione;2-[1-(3-hydroxypropyl)-3-methyl-7-[(5-methyl-2-pyridinyl)methyl]-2,6-dioxopurin-8-yl]oxybenzonitrile
CID 158307493
7-[(5-Chloro-2-pyridinyl)methyl]-8-[3-(1,1-difluoroethyl)phenyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-8-(3-methoxyphenyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-phenylphenyl)purine-2,6-dione;8-[4-(1,1-difluoroethyl)phenyl]-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(4-methylphenyl)purine-2,6-dione
CID 158319041
7-[(4-Chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)anilino]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;8-(cyclopentylmethoxy)-7-ethyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;8-(cyclopentylmethoxy)-1-(3-hydroxypropyl)-3-methyl-7-[(6-methyl-3-pyridinyl)methyl]purine-2,6-dione;8-(cyclopentylmethoxy)-1-(3-hydroxypropyl)-3-methyl-7-propylpurine-2,6-dione;7-ethyl-1-(3-hydroxypropyl)-3-methyl-8-propan-2-yloxypurine-2,6-dione;1-(3-hydroxypropyl)-3-methyl-8-propan-2-yloxy-7-propylpurine-2,6-dione
CID 158476876
7-Benzyl-8-(6-cyclobutyloxy-2-ethyl-3-pyridinyl)-3-ethyl-1-(3-hydroxypropyl)purine-2,6-dione;7-benzyl-8-(6-cyclopentyloxy-2-methyl-3-pyridinyl)-1-(3-hydroxypropyl)-3-propan-2-ylpurine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-8-(2-methyl-6-spiro[3.3]heptan-3-yloxy-3-pyridinyl)-3-propan-2-ylpurine-2,6-dione;8-[6-(2-bicyclo[2.2.1]heptanyloxy)-2-methyl-3-pyridinyl]-3-ethyl-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)purine-2,6-dione;7-[(4-chlorophenyl)methyl]-3-ethyl-1-(3-hydroxypropyl)-8-[6-(2-methylcyclobutyl)oxy-2-(trifluoromethyl)-3-pyridinyl]purine-2,6-dione
CID 158533370

Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-8-(4-methoxyphenyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenyl]-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione?
The IUPAC name of 8-(2-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-8-(4-methoxyphenyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenyl]-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione (CID 160629061) is 8-(2-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-8-(4-methoxyphenyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenyl]-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione.
What is the SMILES notation for 8-(2-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-8-(4-methoxyphenyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenyl]-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione?
The canonical SMILES for 8-(2-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-8-(4-methoxyphenyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenyl]-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione is CC(C)c1cccc(-c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2Cc2ccc(F)cc2)c1.COc1ccc(-c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2Cc2ccc(Cl)cn2)cc1.Cc1cccc(-c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2Cc2ccc(Cl)cn2)c1.Cc1cccc(-c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2Cc2ccc(F)cc2)c1.Cn1c(=O)n(CCCO)c(=O)c2c1nc(-c1cccc(OC(C)(F)F)c1)n2Cc1ccc(F)cc1.Cn1c(=O)n(CCCO)c(=O)c2c1nc(-c1ccccc1Cl)n2Cc1ccc(Cl)cn1.
What is the InChIKey of 8-(2-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-8-(4-methoxyphenyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenyl]-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione?
The InChIKey is RHROEBUHZBVTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3.C24H23F3N4O4.C23H23FN4O3.C22H22ClN5O4.C22H22ClN5O3.C21H19Cl2N5O3/c1-16(2)18-6-4-7-19(14-18)22-27-23-21(30(22)15-17-8-10-20(26)11-9-17)24(32)29(12-5-13-31)25(33)28(23)3;1-24(26,27)35-18-6-3-5-16(13-18)20-28-21-19(31(20)14-15-7-9-17(25)10-8-15)22(33)30(11-4-12-32)23(34)29(21)2;1-15-5-3-6-17(13-15)20-25-21-19(28(20)14-16-7-9-18(24)10-8-16)22(30)27(11-4-12-29)23(31)26(21)2;1-26-20-18(21(30)27(22(26)31)10-3-11-29)28(13-16-7-6-15(23)12-24-16)19(25-20)14-4-8-17(32-2)9-5-14;1-14-5-3-6-15(11-14)19-25-20-18(28(19)13-17-8-7-16(23)12-24-17)21(30)27(9-4-10-29)22(31)26(20)2;1-26-19-17(20(30)27(21(26)31)9-4-10-29)28(12-14-8-7-13(22)11-24-14)18(25-19)15-5-2-3-6-16(15)23/h4,6-11,14,16,31H,5,12-13,15H2,1-3H3;3,5-10,13,32H,4,11-12,14H2,1-2H3;3,5-10,13,29H,4,11-12,14H2,1-2H3;4-9,12,29H,3,10-11,13H2,1-2H3;3,5-8,11-12,29H,4,9-10,13H2,1-2H3;2-3,5-8,11,29H,4,9-10,12H2,1H3.
What are the key properties of 8-(2-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-8-(4-methoxyphenyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenyl]-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione?
8-(2-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-8-(4-methoxyphenyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenyl]-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione has a molecular weight of 2717.57 g/mol, XLogP of 15.92, 40 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)-7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-8-(4-methoxyphenyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenyl]-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenyl)purine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione is sourced from PubChem (CID 160629061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).