7-methyl-9-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]purin-8-one

C105H124F3N25O10S3 — CID 158626176

IUPAC7-methyl-9-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]purin-8-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)n(CC1CCN(S(=O)(=O)C(C)C)CC1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(CC1CCN(S(=O)(=O)c3cccnc3)CC1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(CC1CCN(S(=O)(=O)c3nccn3C)CC1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(F)(F)F)cn3C3CN(C)C3)cc1)c(=O)n2C
InChIInChI=1S/C30H30F3N7O.C26H30N6O3S.C25H31N7O3S.C24H33N5O3S/c1-18(2)22-7-5-6-8-23(22)26-34-13-24-28(36-26)40(29(41)38(24)4)14-19-9-11-20(12-10-19)27-35-25(30(31,32)33)17-39(27)21-15-37(3)16-21;1-18(2)21-8-4-5-9-22(21)24-28-16-23-25(29-24)32(26(33)30(23)3)17-19-10-13-31(14-11-19)36(34,35)20-7-6-12-27-15-20;1-17(2)19-7-5-6-8-20(19)22-27-15-21-23(28-22)32(25(33)30(21)4)16-18-9-12-31(13-10-18)36(34,35)24-26-11-14-29(24)3;1-16(2)19-8-6-7-9-20(19)22-25-14-21-23(26-22)29(24(30)27(21)5)15-18-10-12-28(13-11-18)33(31,32)17(3)4/h5-13,17-18,21H,14-16H2,1-4H3;4-9,12,15-16,18-19H,10-11,13-14,17H2,1-3H3;5-8,11,14-15,17-18H,9-10,12-13,16H2,1-4H3;6-9,14,16-18H,10-13,15H2,1-5H3
InChIKeyHYPRHZVTQKOMRL-UHFFFAOYSA-N
MW2049.51 g/mol
LogP14.88
Rot. Bonds24

About 7-methyl-9-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]purin-8-one

7-methyl-9-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]purin-8-one (PubChem CID 158626176) has the molecular formula C105H124F3N25O10S3 and a molecular weight of 2049.51 g/mol. Its IUPAC name is 7-methyl-9-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]purin-8-one.

Molecular Properties

Compound Name7-methyl-9-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]purin-8-one
PubChem CID158626176
Molecular FormulaC105H124F3N25O10S3
Molecular Weight2049.51 g/mol
Exact Mass2047.91
IUPAC Name7-methyl-9-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]purin-8-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)n(CC1CCN(S(=O)(=O)C(C)C)CC1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(CC1CCN(S(=O)(=O)c3cccnc3)CC1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(CC1CCN(S(=O)(=O)c3nccn3C)CC1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(F)(F)F)cn3C3CN(C)C3)cc1)c(=O)n2C
InChIInChI=1S/C30H30F3N7O.C26H30N6O3S.C25H31N7O3S.C24H33N5O3S/c1-18(2)22-7-5-6-8-23(22)26-34-13-24-28(36-26)40(29(41)38(24)4)14-19-9-11-20(12-10-19)27-35-25(30(31,32)33)17-39(27)21-15-37(3)16-21;1-18(2)21-8-4-5-9-22(21)24-28-16-23-25(29-24)32(26(33)30(23)3)17-19-10-13-31(14-11-19)36(34,35)20-7-6-12-27-15-20;1-17(2)19-7-5-6-8-20(19)22-27-15-21-23(28-22)32(25(33)30(21)4)16-18-9-12-31(13-10-18)36(34,35)24-26-11-14-29(24)3;1-16(2)19-8-6-7-9-20(19)22-25-14-21-23(26-22)29(24(30)27(21)5)15-18-10-12-28(13-11-18)33(31,32)17(3)4/h5-13,17-18,21H,14-16H2,1-4H3;4-9,12,15-16,18-19H,10-11,13-14,17H2,1-3H3;5-8,11,14-15,17-18H,9-10,12-13,16H2,1-4H3;6-9,14,16-18H,10-13,15H2,1-5H3
InChIKeyHYPRHZVTQKOMRL-UHFFFAOYSA-N
XLogP14.88
TPSA374.75 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002049.51
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 7-methyl-9-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]purin-8-one with MolForge

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Related Compounds

4-Ethylsulfinyl-3-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline;8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,6-naphthyridine
CID 157151031
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]cyclohexane-1-carboxamide;3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 157650926
7-(1,1-Dioxothietan-3-yl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-(2-hydroxyethyl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;methane;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-(oxan-4-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
CID 158504098
7-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-[1-methyl-4-(1-methylpiperidin-4-yl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-5-(1-methylpiperidin-4-yl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 159089480
1-[6-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;N,N-dimethyl-4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]aniline;1-[6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-(3,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine
CID 159656072
7-(1,1-Dioxothietan-3-yl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-(2-hydroxyethyl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-(2-methoxyethyl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-(oxan-4-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
CID 159972531
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide;3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 160113901
9-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;9-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[(1R)-1-[4-[4-methyl-2-(trifluoromethyl)-4H-imidazol-5-yl]phenyl]ethyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
CID 160416080
9-[[4-[5-(1,1-difluoroethyl)-3-methyl-3H-pyrrol-2-yl]-2-fluorophenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;9-[[3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;9-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-(oxetan-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
CID 160592389
2-[2-(difluoromethyl)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-ethyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;7-methyl-2-(2-methyl-3-pyridinyl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160615120
9-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;methane;7-methyl-9-[(1S)-1-[4-[4-methyl-2-(trifluoromethyl)-4H-imidazol-5-yl]phenyl]ethyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[(1R)-1-[4-[4-methyl-2-(trifluoromethyl)-4H-imidazol-5-yl]phenyl]ethyl]-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 160805327
3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-(1-propylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 160983011

Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]purin-8-one?
The IUPAC name of 7-methyl-9-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]purin-8-one (CID 158626176) is 7-methyl-9-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]purin-8-one.
What is the SMILES notation for 7-methyl-9-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]purin-8-one?
The canonical SMILES for 7-methyl-9-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]purin-8-one is CC(C)c1ccccc1-c1ncc2c(n1)n(CC1CCN(S(=O)(=O)C(C)C)CC1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(CC1CCN(S(=O)(=O)c3cccnc3)CC1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(CC1CCN(S(=O)(=O)c3nccn3C)CC1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(F)(F)F)cn3C3CN(C)C3)cc1)c(=O)n2C.
What is the InChIKey of 7-methyl-9-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]purin-8-one?
The InChIKey is HYPRHZVTQKOMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N7O.C26H30N6O3S.C25H31N7O3S.C24H33N5O3S/c1-18(2)22-7-5-6-8-23(22)26-34-13-24-28(36-26)40(29(41)38(24)4)14-19-9-11-20(12-10-19)27-35-25(30(31,32)33)17-39(27)21-15-37(3)16-21;1-18(2)21-8-4-5-9-22(21)24-28-16-23-25(29-24)32(26(33)30(23)3)17-19-10-13-31(14-11-19)36(34,35)20-7-6-12-27-15-20;1-17(2)19-7-5-6-8-20(19)22-27-15-21-23(28-22)32(25(33)30(21)4)16-18-9-12-31(13-10-18)36(34,35)24-26-11-14-29(24)3;1-16(2)19-8-6-7-9-20(19)22-25-14-21-23(26-22)29(24(30)27(21)5)15-18-10-12-28(13-11-18)33(31,32)17(3)4/h5-13,17-18,21H,14-16H2,1-4H3;4-9,12,15-16,18-19H,10-11,13-14,17H2,1-3H3;5-8,11,14-15,17-18H,9-10,12-13,16H2,1-4H3;6-9,14,16-18H,10-13,15H2,1-5H3.
What are the key properties of 7-methyl-9-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]purin-8-one?
7-methyl-9-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]purin-8-one has a molecular weight of 2049.51 g/mol, XLogP of 14.88, 24 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]purin-8-one is sourced from PubChem (CID 158626176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).