methane;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-(4-methoxy-1-methylimidazol-2-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-morpholin-4-yl-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-(oxetan-3-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one

C115H126F9N29O8 — CID 159105547

IUPACmethane;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-(4-methoxy-1-methylimidazol-2-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-morpholin-4-yl-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-(oxetan-3-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
SMILESC.C.C.C.CC(C)c1ncccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)c(=O)n2C1COC1.CC(C)c1ncccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(F)(F)F)cn3N3CCOCC3)cc1)c(=O)n2C.COCCn1c(=O)n(Cc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)c2nc(-c3cccnc3C(C)C)ncc21.COc1cn(C)c(-c2ccc(Cn3c(=O)n(C)c4cnc(-c5cccnc5C(C)C)nc43)cc2)n1
InChIInChI=1S/C29H29F3N8O2.C28H26F3N7O2.C28H28F3N7O2.C26H27N7O2.4CH4/c1-18(2)24-21(5-4-10-33-24)25-34-15-22-27(36-25)39(28(41)37(22)3)16-19-6-8-20(9-7-19)26-35-23(29(30,31)32)17-40(26)38-11-13-42-14-12-38;1-16(2)23-20(5-4-10-32-23)24-33-11-21-26(35-24)37(27(39)38(21)19-14-40-15-19)12-17-6-8-18(9-7-17)25-34-22(13-36(25)3)28(29,30)31;1-17(2)23-20(6-5-11-32-23)24-33-14-21-26(35-24)38(27(39)37(21)12-13-40-4)15-18-7-9-19(10-8-18)25-34-22(16-36(25)3)28(29,30)31;1-16(2)22-19(7-6-12-27-22)23-28-13-20-25(30-23)33(26(34)32(20)4)14-17-8-10-18(11-9-17)24-29-21(35-5)15-31(24)3;;;;/h4-10,15,17-18H,11-14,16H2,1-3H3;4-11,13,16,19H,12,14-15H2,1-3H3;5-11,14,16-17H,12-13,15H2,1-4H3;6-13,15-16H,14H2,1-5H3;4*1H4
InChIKeyKDVIISDCHINSDF-UHFFFAOYSA-N
MW2213.45 g/mol
LogP20.24
Rot. Bonds26

About methane;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-(4-methoxy-1-methylimidazol-2-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-morpholin-4-yl-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-(oxetan-3-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one

methane;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-(4-methoxy-1-methylimidazol-2-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-morpholin-4-yl-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-(oxetan-3-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one (PubChem CID 159105547) has the molecular formula C115H126F9N29O8 and a molecular weight of 2213.45 g/mol. Its IUPAC name is methane;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-(4-methoxy-1-methylimidazol-2-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-morpholin-4-yl-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-(oxetan-3-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one.

Molecular Properties

Compound Namemethane;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-(4-methoxy-1-methylimidazol-2-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-morpholin-4-yl-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-(oxetan-3-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
PubChem CID159105547
Molecular FormulaC115H126F9N29O8
Molecular Weight2213.45 g/mol
Exact Mass2212.02
IUPAC Namemethane;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-(4-methoxy-1-methylimidazol-2-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-morpholin-4-yl-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-(oxetan-3-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
SMILESC.C.C.C.CC(C)c1ncccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)c(=O)n2C1COC1.CC(C)c1ncccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(F)(F)F)cn3N3CCOCC3)cc1)c(=O)n2C.COCCn1c(=O)n(Cc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)c2nc(-c3cccnc3C(C)C)ncc21.COc1cn(C)c(-c2ccc(Cn3c(=O)n(C)c4cnc(-c5cccnc5C(C)C)nc43)cc2)n1
InChIInChI=1S/C29H29F3N8O2.C28H26F3N7O2.C28H28F3N7O2.C26H27N7O2.4CH4/c1-18(2)24-21(5-4-10-33-24)25-34-15-22-27(36-25)39(28(41)37(22)3)16-19-6-8-20(9-7-19)26-35-23(29(30,31)32)17-40(26)38-11-13-42-14-12-38;1-16(2)23-20(5-4-10-32-23)24-33-11-21-26(35-24)37(27(39)38(21)19-14-40-15-19)12-17-6-8-18(9-7-17)25-34-22(13-36(25)3)28(29,30)31;1-17(2)23-20(6-5-11-32-23)24-33-14-21-26(35-24)38(27(39)37(21)12-13-40-4)15-18-7-9-19(10-8-18)25-34-22(16-36(25)3)28(29,30)31;1-16(2)22-19(7-6-12-27-22)23-28-13-20-25(30-23)33(26(34)32(20)4)14-17-8-10-18(11-9-17)24-29-21(35-5)15-31(24)3;;;;/h4-10,15,17-18H,11-14,16H2,1-3H3;4-11,13,16,19H,12,14-15H2,1-3H3;5-11,14,16-17H,12-13,15H2,1-4H3;6-13,15-16H,14H2,1-5H3;4*1H4
InChIKeyKDVIISDCHINSDF-UHFFFAOYSA-N
XLogP20.24
TPSA373.84 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds26
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002213.45
LogP ≤ 520.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze methane;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-(4-methoxy-1-methylimidazol-2-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-morpholin-4-yl-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-(oxetan-3-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one with MolForge

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Launch Full Analysis

Related Compounds

7-Methyl-9-[[4-[1-morpholin-4-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylpyridin-3-yl)purin-8-one
CID 145742115
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
Tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine;bis(6-(1-cyclohexylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridine)
CID 157303422
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
9-[[4-(3-methoxy-5-methylpyrazol-1-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;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-[[4-[5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-1-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-(oxetan-3-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
CID 157339029
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
4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-5-ethoxyimidazo[1,5-a]pyrazin-1-yl]-N-[4-(1,1-difluoroethyl)-2-pyridinyl]benzamide;4-[3-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-5-ethoxy-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;N-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-[5-ethoxy-3-[(2S)-1-prop-2-enoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide
CID 157525781
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
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;methane;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 157615684
2-(2-cyclopropyl-3-pyridinyl)-7-[[4-[1-(oxetan-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1-methyl-2,3-dihydroindol-7-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-(oxetan-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157910478
4-[3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-5-ethoxyimidazo[1,5-a]pyrazin-1-yl]-N-[4-(1,1-difluoroethyl)-2-pyridinyl]benzamide;N-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-[5-ethoxy-3-[(2S)-1-prop-2-enoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide;methane
CID 157937371
2-[2-(diethylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(dimethylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[[(3S)-oxolan-3-yl]amino]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-pyrrolidin-1-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158064534

Frequently Asked Questions

What is the IUPAC name of methane;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-(4-methoxy-1-methylimidazol-2-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-morpholin-4-yl-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-(oxetan-3-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one?
The IUPAC name of methane;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-(4-methoxy-1-methylimidazol-2-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-morpholin-4-yl-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-(oxetan-3-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one (CID 159105547) is methane;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-(4-methoxy-1-methylimidazol-2-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-morpholin-4-yl-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-(oxetan-3-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one.
What is the SMILES notation for methane;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-(4-methoxy-1-methylimidazol-2-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-morpholin-4-yl-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-(oxetan-3-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one?
The canonical SMILES for methane;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-(4-methoxy-1-methylimidazol-2-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-morpholin-4-yl-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-(oxetan-3-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one is C.C.C.C.CC(C)c1ncccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)c(=O)n2C1COC1.CC(C)c1ncccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(F)(F)F)cn3N3CCOCC3)cc1)c(=O)n2C.COCCn1c(=O)n(Cc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)c2nc(-c3cccnc3C(C)C)ncc21.COc1cn(C)c(-c2ccc(Cn3c(=O)n(C)c4cnc(-c5cccnc5C(C)C)nc43)cc2)n1.
What is the InChIKey of methane;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-(4-methoxy-1-methylimidazol-2-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-morpholin-4-yl-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-(oxetan-3-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one?
The InChIKey is KDVIISDCHINSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N8O2.C28H26F3N7O2.C28H28F3N7O2.C26H27N7O2.4CH4/c1-18(2)24-21(5-4-10-33-24)25-34-15-22-27(36-25)39(28(41)37(22)3)16-19-6-8-20(9-7-19)26-35-23(29(30,31)32)17-40(26)38-11-13-42-14-12-38;1-16(2)23-20(5-4-10-32-23)24-33-11-21-26(35-24)37(27(39)38(21)19-14-40-15-19)12-17-6-8-18(9-7-17)25-34-22(13-36(25)3)28(29,30)31;1-17(2)23-20(6-5-11-32-23)24-33-14-21-26(35-24)38(27(39)37(21)12-13-40-4)15-18-7-9-19(10-8-18)25-34-22(16-36(25)3)28(29,30)31;1-16(2)22-19(7-6-12-27-22)23-28-13-20-25(30-23)33(26(34)32(20)4)14-17-8-10-18(11-9-17)24-29-21(35-5)15-31(24)3;;;;/h4-10,15,17-18H,11-14,16H2,1-3H3;4-11,13,16,19H,12,14-15H2,1-3H3;5-11,14,16-17H,12-13,15H2,1-4H3;6-13,15-16H,14H2,1-5H3;4*1H4.
What are the key properties of methane;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-(4-methoxy-1-methylimidazol-2-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-morpholin-4-yl-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-(oxetan-3-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one?
methane;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-(4-methoxy-1-methylimidazol-2-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-morpholin-4-yl-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-(oxetan-3-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one has a molecular weight of 2213.45 g/mol, XLogP of 20.24, 26 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for methane;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-(4-methoxy-1-methylimidazol-2-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-morpholin-4-yl-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-(oxetan-3-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one is sourced from PubChem (CID 159105547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).