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

C108H98F15N27O5 — CID 160592389

IUPAC9-[[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
SMILESCC(C)c1ncccc1-c1ncc2c(n1)n(Cc1cc(F)c(-c3nc(C(F)(F)F)cn3C)c(F)c1)c(=O)n2C.CC(C)c1ncccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(F)(F)F)cn3C)c(F)c1)c(=O)n2C.CC(C)c1ncccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(F)(F)F)cn3C3COC3)cc1)c(=O)n2C.CC1C=C(C(C)(F)F)N=C1c1ccc(Cn2c(=O)n(C)c3cnc(-c4cccnc4C(C)C)nc32)c(F)c1
InChIInChI=1S/C28H26F3N7O2.C28H27F3N6O.C26H22F5N7O.C26H23F4N7O/c1-16(2)23-20(5-4-10-32-23)24-33-11-21-26(35-24)38(27(39)36(21)3)12-17-6-8-18(9-7-17)25-34-22(28(29,30)31)13-37(25)19-14-40-15-19;1-15(2)23-19(7-6-10-32-23)25-33-13-21-26(35-25)37(27(38)36(21)5)14-18-9-8-17(12-20(18)29)24-16(3)11-22(34-24)28(4,30)31;1-13(2)21-15(6-5-7-32-21)22-33-10-18-23(35-22)38(25(39)37(18)4)11-14-8-16(27)20(17(28)9-14)24-34-19(12-36(24)3)26(29,30)31;1-14(2)21-17(6-5-9-31-21)22-32-11-19-24(34-22)37(25(38)36(19)4)12-15-7-8-16(18(27)10-15)23-33-20(13-35(23)3)26(28,29)30/h4-11,13,16,19H,12,14-15H2,1-3H3;6-13,15-16H,14H2,1-5H3;5-10,12-13H,11H2,1-4H3;5-11,13-14H,12H2,1-4H3
InChIKeyRDEWAXHOTLEURC-UHFFFAOYSA-N
MW2139.13 g/mol
LogP20.28
Rot. Bonds22

About 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

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 (PubChem CID 160592389) has the molecular formula C108H98F15N27O5 and a molecular weight of 2139.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[[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
PubChem CID160592389
Molecular FormulaC108H98F15N27O5
Molecular Weight2139.13 g/mol
Exact Mass2137.80
IUPAC Name9-[[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
SMILESCC(C)c1ncccc1-c1ncc2c(n1)n(Cc1cc(F)c(-c3nc(C(F)(F)F)cn3C)c(F)c1)c(=O)n2C.CC(C)c1ncccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(F)(F)F)cn3C)c(F)c1)c(=O)n2C.CC(C)c1ncccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(F)(F)F)cn3C3COC3)cc1)c(=O)n2C.CC1C=C(C(C)(F)F)N=C1c1ccc(Cn2c(=O)n(C)c3cnc(-c4cccnc4C(C)C)nc32)c(F)c1
InChIInChI=1S/C28H26F3N7O2.C28H27F3N6O.C26H22F5N7O.C26H23F4N7O/c1-16(2)23-20(5-4-10-32-23)24-33-11-21-26(35-24)38(27(39)36(21)3)12-17-6-8-18(9-7-17)25-34-22(28(29,30)31)13-37(25)19-14-40-15-19;1-15(2)23-19(7-6-10-32-23)25-33-13-21-26(35-25)37(27(38)36(21)5)14-18-9-8-17(12-20(18)29)24-16(3)11-22(34-24)28(4,30)31;1-13(2)21-15(6-5-7-32-21)22-33-10-18-23(35-22)38(25(39)37(18)4)11-14-8-16(27)20(17(28)9-14)24-34-19(12-36(24)3)26(29,30)31;1-14(2)21-17(6-5-9-31-21)22-32-11-19-24(34-22)37(25(38)36(19)4)12-15-7-8-16(18(27)10-15)23-33-20(13-35(23)3)26(28,29)30/h4-11,13,16,19H,12,14-15H2,1-3H3;6-13,15-16H,14H2,1-5H3;5-10,12-13H,11H2,1-4H3;5-11,13-14H,12H2,1-4H3
InChIKeyRDEWAXHOTLEURC-UHFFFAOYSA-N
XLogP20.28
TPSA337.45 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds22
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002139.13
LogP ≤ 520.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 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 with MolForge

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Related Compounds

7-Methyl-9-[[4-[1-(oxetan-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylpyridin-3-yl)purin-8-one
CID 129139944
9-[[4-[1-(oxetan-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylpyridin-3-yl)-7H-purin-8-one
CID 129139958
9-[[4-[1-Methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-(oxetan-3-yl)-2-(2-propan-2-ylpyridin-3-yl)purin-8-one
CID 129140067
7-(2-Methoxyethyl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylpyridin-3-yl)purin-8-one
CID 129140223
7-Methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-morpholin-4-ylpyridin-3-yl)purin-8-one
CID 129140315
1-[1-[[9-ethyl-2-(5-fluoroindol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-4-[[[1-[[2-(1H-indol-3-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-methylamino]methyl]pyrrolidin-2-one
CID 90775981
bis[2-[4-[6-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]pyrrolidin-1-yl]methanone
CID 123520442
2-(6-fluorobenzimidazol-1-yl)-6-[5-fluoro-1-[8-oxo-9-(1-pyridin-3-ylethyl)-7H-purin-2-yl]benzimidazol-2-yl]-9-(1-pyridin-3-ylethyl)-7H-purin-8-one
CID 143306757
4-[2-[(4-Methylpiperidin-1-yl)methyl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridin-6-yl]morpholine;1-[[1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]methyl]azetidin-3-ol
CID 145418363
[4-[2-[6-[3-[1-[1-(1-Benzyl-4-fluoropiperidin-4-yl)ethenyl]piperidin-4-yl]-2-ethoxyimidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[1-(cyclohexylmethyl)-4-fluoropiperidin-4-yl]methanone
CID 145470785
3-methyl-1-[5-[[7-[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 153629346
1-[6-[[1-[5-[[7-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3,5-dimethyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 154970495

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1ncccc1-c1ncc2c(n1)n(Cc1cc(F)c(-c3nc(C(F)(F)F)cn3C)c(F)c1)c(=O)n2C.CC(C)c1ncccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(F)(F)F)cn3C)c(F)c1)c(=O)n2C.CC(C)c1ncccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(F)(F)F)cn3C3COC3)cc1)c(=O)n2C.CC1C=C(C(C)(F)F)N=C1c1ccc(Cn2c(=O)n(C)c3cnc(-c4cccnc4C(C)C)nc32)c(F)c1.
What is the InChIKey of 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?
The InChIKey is RDEWAXHOTLEURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N7O2.C28H27F3N6O.C26H22F5N7O.C26H23F4N7O/c1-16(2)23-20(5-4-10-32-23)24-33-11-21-26(35-24)38(27(39)36(21)3)12-17-6-8-18(9-7-17)25-34-22(28(29,30)31)13-37(25)19-14-40-15-19;1-15(2)23-19(7-6-10-32-23)25-33-13-21-26(35-25)37(27(38)36(21)5)14-18-9-8-17(12-20(18)29)24-16(3)11-22(34-24)28(4,30)31;1-13(2)21-15(6-5-7-32-21)22-33-10-18-23(35-22)38(25(39)37(18)4)11-14-8-16(27)20(17(28)9-14)24-34-19(12-36(24)3)26(29,30)31;1-14(2)21-17(6-5-9-31-21)22-32-11-19-24(34-22)37(25(38)36(19)4)12-15-7-8-16(18(27)10-15)23-33-20(13-35(23)3)26(28,29)30/h4-11,13,16,19H,12,14-15H2,1-3H3;6-13,15-16H,14H2,1-5H3;5-10,12-13H,11H2,1-4H3;5-11,13-14H,12H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2139.13 g/mol, XLogP of 20.28, 22 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160592389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).