2-amino-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(5-methyl-2-pyridinyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C143H146F6N44O22S — CID 161150027

IUPAC2-amino-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(5-methyl-2-pyridinyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCN1C=NC2N=C(N)N(Cc3nc([C@@H]4CO[C@@H](c5ccc(S(C)(F)(F)(F)F)cc5)C4)no3)C(=O)C21.Cc1ccc([C@H]2C[C@H](c3noc(Cn4c(N)nc5ncn(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5c(c4=O)CCNC5)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5nc(C(F)F)n(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5nc(C(N)=O)ccc5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnn5cnc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnn5ncc(C)c5c4=O)n3)CO2)nc1
InChIInChI=1S/C22H20N6O4.C21H20F2N6O3.C21H23N5O3.C20H23F4N7O3S.C20H21N7O3.C20H20N6O3.C19H19N7O3/c1-12-2-4-13(5-3-12)17-8-14(10-31-17)20-26-18(32-27-20)9-28-11-24-21-15(22(28)30)6-7-16(25-21)19(23)29;1-11-3-5-12(6-4-11)14-7-13(9-31-14)18-25-15(32-27-18)8-29-10-24-19-16(21(29)30)28(2)20(26-19)17(22)23;1-13-2-4-14(5-3-13)18-8-15(11-28-18)20-24-19(29-25-20)10-26-12-23-17-9-22-7-6-16(17)21(26)27;1-30-10-26-18-16(30)19(32)31(20(25)28-18)8-15-27-17(29-34-15)12-7-14(33-9-12)11-3-5-13(6-4-11)35(2,21,22,23)24;1-11-3-5-12(6-4-11)14-7-13(9-29-14)17-23-15(30-25-17)8-27-19(28)16-18(24-20(27)21)22-10-26(16)2;1-12-3-5-14(6-4-12)16-7-15(9-28-16)19-23-17(29-24-19)8-25-11-22-26-10-21-13(2)18(26)20(25)27;1-11-3-4-14(20-6-11)15-5-13(9-28-15)18-23-16(29-24-18)8-25-10-22-26-17(19(25)27)12(2)7-21-26/h2-7,11,14,17H,8-10H2,1H3,(H2,23,29);3-6,10,13-14,17H,7-9H2,1-2H3;2-5,12,15,18,22H,6-11H2,1H3;3-6,10,12,14,16,18H,7-9H2,1-2H3,(H2,25,28);3-6,10,13-14H,7-9H2,1-2H3,(H2,21,24);3-6,10-11,15-16H,7-9H2,1-2H3;3-4,6-7,10,13,15H,5,8-9H2,1-2H3/t14-,17+;13-,14+;15-,18+;12-,14+,16?,18?;13-,14+;15-,16+;13-,15+/m0000000/s1
InChIKeyUONZXVVTQFUIKB-WMIKUAMUSA-N
MW2979.08 g/mol
LogP15.31
Rot. Bonds31

About 2-amino-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(5-methyl-2-pyridinyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-amino-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(5-methyl-2-pyridinyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 161150027) has the molecular formula C143H146F6N44O22S and a molecular weight of 2979.08 g/mol. Its IUPAC name is 2-amino-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(5-methyl-2-pyridinyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(5-methyl-2-pyridinyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID161150027
Molecular FormulaC143H146F6N44O22S
Molecular Weight2979.08 g/mol
Exact Mass2977.13
IUPAC Name2-amino-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(5-methyl-2-pyridinyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCN1C=NC2N=C(N)N(Cc3nc([C@@H]4CO[C@@H](c5ccc(S(C)(F)(F)(F)F)cc5)C4)no3)C(=O)C21.Cc1ccc([C@H]2C[C@H](c3noc(Cn4c(N)nc5ncn(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5c(c4=O)CCNC5)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5nc(C(F)F)n(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5nc(C(N)=O)ccc5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnn5cnc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnn5ncc(C)c5c4=O)n3)CO2)nc1
InChIInChI=1S/C22H20N6O4.C21H20F2N6O3.C21H23N5O3.C20H23F4N7O3S.C20H21N7O3.C20H20N6O3.C19H19N7O3/c1-12-2-4-13(5-3-12)17-8-14(10-31-17)20-26-18(32-27-20)9-28-11-24-21-15(22(28)30)6-7-16(25-21)19(23)29;1-11-3-5-12(6-4-11)14-7-13(9-31-14)18-25-15(32-27-18)8-29-10-24-19-16(21(29)30)28(2)20(26-19)17(22)23;1-13-2-4-14(5-3-13)18-8-15(11-28-18)20-24-19(29-25-20)10-26-12-23-17-9-22-7-6-16(17)21(26)27;1-30-10-26-18-16(30)19(32)31(20(25)28-18)8-15-27-17(29-34-15)12-7-14(33-9-12)11-3-5-13(6-4-11)35(2,21,22,23)24;1-11-3-5-12(6-4-11)14-7-13(9-29-14)17-23-15(30-25-17)8-27-19(28)16-18(24-20(27)21)22-10-26(16)2;1-12-3-5-14(6-4-12)16-7-15(9-28-16)19-23-17(29-24-19)8-25-11-22-26-10-21-13(2)18(26)20(25)27;1-11-3-4-14(20-6-11)15-5-13(9-28-15)18-23-16(29-24-18)8-25-10-22-26-17(19(25)27)12(2)7-21-26/h2-7,11,14,17H,8-10H2,1H3,(H2,23,29);3-6,10,13-14,17H,7-9H2,1-2H3;2-5,12,15,18,22H,6-11H2,1H3;3-6,10,12,14,16,18H,7-9H2,1-2H3,(H2,25,28);3-6,10,13-14H,7-9H2,1-2H3,(H2,21,24);3-6,10-11,15-16H,7-9H2,1-2H3;3-4,6-7,10,13,15H,5,8-9H2,1-2H3/t14-,17+;13-,14+;15-,18+;12-,14+,16?,18?;13-,14+;15-,16+;13-,15+/m0000000/s1
InChIKeyUONZXVVTQFUIKB-WMIKUAMUSA-N
XLogP15.31
TPSA797.84 Ų
H-Bond Donors4
H-Bond Acceptors64
Rotatable Bonds31
Heavy Atoms216
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002979.08
LogP ≤ 515.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1064

Analyze 2-amino-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(5-methyl-2-pyridinyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(5-methyl-2-pyridinyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(5-methyl-2-pyridinyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 161150027) is 2-amino-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(5-methyl-2-pyridinyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(5-methyl-2-pyridinyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(5-methyl-2-pyridinyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CN1C=NC2N=C(N)N(Cc3nc([C@@H]4CO[C@@H](c5ccc(S(C)(F)(F)(F)F)cc5)C4)no3)C(=O)C21.Cc1ccc([C@H]2C[C@H](c3noc(Cn4c(N)nc5ncn(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5c(c4=O)CCNC5)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5nc(C(F)F)n(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5nc(C(N)=O)ccc5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnn5cnc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnn5ncc(C)c5c4=O)n3)CO2)nc1.
What is the InChIKey of 2-amino-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(5-methyl-2-pyridinyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is UONZXVVTQFUIKB-WMIKUAMUSA-N. The full InChI is InChI=1S/C22H20N6O4.C21H20F2N6O3.C21H23N5O3.C20H23F4N7O3S.C20H21N7O3.C20H20N6O3.C19H19N7O3/c1-12-2-4-13(5-3-12)17-8-14(10-31-17)20-26-18(32-27-20)9-28-11-24-21-15(22(28)30)6-7-16(25-21)19(23)29;1-11-3-5-12(6-4-11)14-7-13(9-31-14)18-25-15(32-27-18)8-29-10-24-19-16(21(29)30)28(2)20(26-19)17(22)23;1-13-2-4-14(5-3-13)18-8-15(11-28-18)20-24-19(29-25-20)10-26-12-23-17-9-22-7-6-16(17)21(26)27;1-30-10-26-18-16(30)19(32)31(20(25)28-18)8-15-27-17(29-34-15)12-7-14(33-9-12)11-3-5-13(6-4-11)35(2,21,22,23)24;1-11-3-5-12(6-4-11)14-7-13(9-29-14)17-23-15(30-25-17)8-27-19(28)16-18(24-20(27)21)22-10-26(16)2;1-12-3-5-14(6-4-12)16-7-15(9-28-16)19-23-17(29-24-19)8-25-11-22-26-10-21-13(2)18(26)20(25)27;1-11-3-4-14(20-6-11)15-5-13(9-28-15)18-23-16(29-24-18)8-25-10-22-26-17(19(25)27)12(2)7-21-26/h2-7,11,14,17H,8-10H2,1H3,(H2,23,29);3-6,10,13-14,17H,7-9H2,1-2H3;2-5,12,15,18,22H,6-11H2,1H3;3-6,10,12,14,16,18H,7-9H2,1-2H3,(H2,25,28);3-6,10,13-14H,7-9H2,1-2H3,(H2,21,24);3-6,10-11,15-16H,7-9H2,1-2H3;3-4,6-7,10,13,15H,5,8-9H2,1-2H3/t14-,17+;13-,14+;15-,18+;12-,14+,16?,18?;13-,14+;15-,16+;13-,15+/m0000000/s1.
What are the key properties of 2-amino-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(5-methyl-2-pyridinyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-amino-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(5-methyl-2-pyridinyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 2979.08 g/mol, XLogP of 15.31, 31 rotatable bonds, 4 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(5-methyl-2-pyridinyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 161150027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).