9-[[4-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-methyl-5-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1,2,4-triazole-3-carboxamide;7-methyl-9-[[4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one

C104H104F3N29O6 — CID 159991331

IUPAC9-[[4-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-methyl-5-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1,2,4-triazole-3-carboxamide;7-methyl-9-[[4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(F)(F)F)n(C)n3)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(N)=O)n(C)n3)cc1)c(=O)n2C.COc1nc(-c2ccc(Cn3c(=O)n(C)c4cnc(-c5ccccc5C(C)C)nc43)cc2)nn1C.Cc1nc(-c2ccc(Cn3c(=O)n(C)c4cnc(-c5ccccc5C(C)C)nc43)cc2)nn1C
InChIInChI=1S/C26H24F3N7O.C26H26N8O2.C26H27N7O2.C26H27N7O/c1-15(2)18-7-5-6-8-19(18)22-30-13-20-23(31-22)36(25(37)34(20)3)14-16-9-11-17(12-10-16)21-32-24(26(27,28)29)35(4)33-21;1-15(2)18-7-5-6-8-19(18)23-28-13-20-24(30-23)34(26(36)32(20)3)14-16-9-11-17(12-10-16)22-29-25(21(27)35)33(4)31-22;1-16(2)19-8-6-7-9-20(19)23-27-14-21-24(28-23)33(26(34)31(21)3)15-17-10-12-18(13-11-17)22-29-25(35-5)32(4)30-22;1-16(2)20-8-6-7-9-21(20)24-27-14-22-25(29-24)33(26(34)31(22)4)15-18-10-12-19(13-11-18)23-28-17(3)32(5)30-23/h5-13,15H,14H2,1-4H3;5-13,15H,14H2,1-4H3,(H2,27,35);6-14,16H,15H2,1-5H3;6-14,16H,15H2,1-5H3
InChIKeyOGZFURCSMDNBSN-UHFFFAOYSA-N
MW1913.17 g/mol
LogP15.49
Rot. Bonds22

About 9-[[4-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-methyl-5-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1,2,4-triazole-3-carboxamide;7-methyl-9-[[4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one

9-[[4-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-methyl-5-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1,2,4-triazole-3-carboxamide;7-methyl-9-[[4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one (PubChem CID 159991331) has the molecular formula C104H104F3N29O6 and a molecular weight of 1913.17 g/mol. Its IUPAC name is 9-[[4-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-methyl-5-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1,2,4-triazole-3-carboxamide;7-methyl-9-[[4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one.

Molecular Properties

Compound Name9-[[4-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-methyl-5-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1,2,4-triazole-3-carboxamide;7-methyl-9-[[4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one
PubChem CID159991331
Molecular FormulaC104H104F3N29O6
Molecular Weight1913.17 g/mol
Exact Mass1911.87
IUPAC Name9-[[4-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-methyl-5-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1,2,4-triazole-3-carboxamide;7-methyl-9-[[4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(F)(F)F)n(C)n3)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(N)=O)n(C)n3)cc1)c(=O)n2C.COc1nc(-c2ccc(Cn3c(=O)n(C)c4cnc(-c5ccccc5C(C)C)nc43)cc2)nn1C.Cc1nc(-c2ccc(Cn3c(=O)n(C)c4cnc(-c5ccccc5C(C)C)nc43)cc2)nn1C
InChIInChI=1S/C26H24F3N7O.C26H26N8O2.C26H27N7O2.C26H27N7O/c1-15(2)18-7-5-6-8-19(18)22-30-13-20-23(31-22)36(25(37)34(20)3)14-16-9-11-17(12-10-16)21-32-24(26(27,28)29)35(4)33-21;1-15(2)18-7-5-6-8-19(18)23-28-13-20-24(30-23)34(26(36)32(20)3)14-16-9-11-17(12-10-16)22-29-25(21(27)35)33(4)31-22;1-16(2)19-8-6-7-9-20(19)23-27-14-21-24(28-23)33(26(34)31(21)3)15-17-10-12-18(13-11-17)22-29-25(35-5)32(4)30-22;1-16(2)20-8-6-7-9-21(20)24-27-14-22-25(29-24)33(26(34)31(22)4)15-18-10-12-19(13-11-18)23-28-17(3)32(5)30-23/h5-13,15H,14H2,1-4H3;5-13,15H,14H2,1-4H3,(H2,27,35);6-14,16H,15H2,1-5H3;6-14,16H,15H2,1-5H3
InChIKeyOGZFURCSMDNBSN-UHFFFAOYSA-N
XLogP15.49
TPSA386.00 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds22
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001913.17
LogP ≤ 515.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Analyze 9-[[4-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-methyl-5-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1,2,4-triazole-3-carboxamide;7-methyl-9-[[4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one with MolForge

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Related Compounds

3-(4-((2-(2-Isopropylphenyl)-7-methyl-8-oxo-7,8-
CID 129139967
[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone
CID 157078919
9-[[4-[4-(Azetidin-1-yl)-1-methylimidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;bis(9-[[4-(3,5-dimethylpyrazol-1-yl)cyclohexyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one);methane;7-methyl-9-[[4-[1-(oxetan-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one
CID 157096663
(2S)-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(3-ethyl-2-oxoimidazolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[5-(3-ethyl-2-oxoimidazolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide
CID 157287413
7-[2-(Dimethylamino)ethyl]-2-(2-propan-2-ylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-one;9-[[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;methane;7-methyl-9-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]cyclopropyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
CID 157334695
7-[[4-[3-(azetidin-1-yl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(6-fluoro-2-methyl-4-propan-2-yl-3-pyridinyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(5-fluoro-2-propan-2-yl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane
CID 157473575
2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;7-[[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157488036
(6-Cyclopropylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-pyrrol-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157508524
9-[[4-[3-(Azetidin-1-yl)-5-methylpyrazol-1-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;bis(9-[[4-(3,5-dimethylpyrazol-1-yl)cyclohexyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one);methane;7-methyl-9-[[4-[1-(oxetan-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one
CID 157549771
8-Benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(piperazine-1-carbonyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrimidin-5-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 157592768
methane;7-[[4-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[3-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;N-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide
CID 157663295
7-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;7-[[4-[1-(oxetan-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158188037

Frequently Asked Questions

What is the IUPAC name of 9-[[4-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-methyl-5-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1,2,4-triazole-3-carboxamide;7-methyl-9-[[4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one?
The IUPAC name of 9-[[4-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-methyl-5-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1,2,4-triazole-3-carboxamide;7-methyl-9-[[4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one (CID 159991331) is 9-[[4-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-methyl-5-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1,2,4-triazole-3-carboxamide;7-methyl-9-[[4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one.
What is the SMILES notation for 9-[[4-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-methyl-5-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1,2,4-triazole-3-carboxamide;7-methyl-9-[[4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one?
The canonical SMILES for 9-[[4-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-methyl-5-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1,2,4-triazole-3-carboxamide;7-methyl-9-[[4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one is CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(F)(F)F)n(C)n3)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(N)=O)n(C)n3)cc1)c(=O)n2C.COc1nc(-c2ccc(Cn3c(=O)n(C)c4cnc(-c5ccccc5C(C)C)nc43)cc2)nn1C.Cc1nc(-c2ccc(Cn3c(=O)n(C)c4cnc(-c5ccccc5C(C)C)nc43)cc2)nn1C.
What is the InChIKey of 9-[[4-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-methyl-5-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1,2,4-triazole-3-carboxamide;7-methyl-9-[[4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one?
The InChIKey is OGZFURCSMDNBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N7O.C26H26N8O2.C26H27N7O2.C26H27N7O/c1-15(2)18-7-5-6-8-19(18)22-30-13-20-23(31-22)36(25(37)34(20)3)14-16-9-11-17(12-10-16)21-32-24(26(27,28)29)35(4)33-21;1-15(2)18-7-5-6-8-19(18)23-28-13-20-24(30-23)34(26(36)32(20)3)14-16-9-11-17(12-10-16)22-29-25(21(27)35)33(4)31-22;1-16(2)19-8-6-7-9-20(19)23-27-14-21-24(28-23)33(26(34)31(21)3)15-17-10-12-18(13-11-17)22-29-25(35-5)32(4)30-22;1-16(2)20-8-6-7-9-21(20)24-27-14-22-25(29-24)33(26(34)31(22)4)15-18-10-12-19(13-11-18)23-28-17(3)32(5)30-23/h5-13,15H,14H2,1-4H3;5-13,15H,14H2,1-4H3,(H2,27,35);6-14,16H,15H2,1-5H3;6-14,16H,15H2,1-5H3.
What are the key properties of 9-[[4-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-methyl-5-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1,2,4-triazole-3-carboxamide;7-methyl-9-[[4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one?
9-[[4-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-methyl-5-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1,2,4-triazole-3-carboxamide;7-methyl-9-[[4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one has a molecular weight of 1913.17 g/mol, XLogP of 15.49, 22 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-methyl-5-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1,2,4-triazole-3-carboxamide;7-methyl-9-[[4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one is sourced from PubChem (CID 159991331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).