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]purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-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

C148H152ClF6N45O22S — CID 159382952

About 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]purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-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-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-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 159382952) has the molecular formula C148H152ClF6N45O22S and a molecular weight of 3094.64 g/mol. Its IUPAC name is 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]purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-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 Name: 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]purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-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: 159382952
• Molecular Formula: C148H152ClF6N45O22S
• Molecular Weight: 3094.64 g/mol
• Exact Mass: 3092.15
• IUPAC Name: 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]purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-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
• SMILES: 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.Cc1nc(NC2CCN(C)CC2)n2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)c(=O)c12.Cn1cnc2nc(N)n(Cc3nc([C@@H]4CO[C@@H](c5ccc(S(C)(F)(F)(F)F)cc5)C4)no3)c(=O)c21
• InChI: InChI=1S/C25H29ClN8O3.C22H20N6O4.C21H20F2N6O3.C21H23N5O3.C20H21F4N7O3S.C20H20N6O3.C19H19N7O3/c1-15-22-24(35)33(14-27-34(22)25(28-15)29-19-7-9-32(2)10-8-19)12-21-30-23(31-37-21)17-11-20(36-13-17)16-3-5-18(26)6-4-16;1-12-2-4-13(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;1-12-3-5-14(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/h3-6,14,17,19-20H,7-13H2,1-2H3,(H,28,29);2-7,11,14,17H,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;3-6,10,12,14H,7-9H2,1-2H3,(H2,25,28);3-6,10-11,15-16H,7-9H2,1-2H3;3-4,6-7,10,13,15H,5,8-9H2,1-2H3/t17-,20+;14-,17+;13-,14+;15-,18+;12-,14+;15-,16+;13-,15+/m0000000/s1
• InChIKey: LLDJLLXHFCPKDI-QMWQPGMESA-N
• XLogP: 17.39
• TPSA: 791.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 66
• Rotatable Bonds: 33
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3094.64
LogP ≤ 5	17.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	66

Frequently Asked Questions

What is the IUPAC name of 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]purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-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-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-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 159382952) is 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]purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-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-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-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-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-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 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.Cc1nc(NC2CCN(C)CC2)n2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)c(=O)c12.Cn1cnc2nc(N)n(Cc3nc([C@@H]4CO[C@@H](c5ccc(S(C)(F)(F)(F)F)cc5)C4)no3)c(=O)c21.

What is the InChIKey of 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]purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-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 LLDJLLXHFCPKDI-QMWQPGMESA-N. The full InChI is InChI=1S/C25H29ClN8O3.C22H20N6O4.C21H20F2N6O3.C21H23N5O3.C20H21F4N7O3S.C20H20N6O3.C19H19N7O3/c1-15-22-24(35)33(14-27-34(22)25(28-15)29-19-7-9-32(2)10-8-19)12-21-30-23(31-37-21)17-11-20(36-13-17)16-3-5-18(26)6-4-16;1-12-2-4-13(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;1-12-3-5-14(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/h3-6,14,17,19-20H,7-13H2,1-2H3,(H,28,29);2-7,11,14,17H,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;3-6,10,12,14H,7-9H2,1-2H3,(H2,25,28);3-6,10-11,15-16H,7-9H2,1-2H3;3-4,6-7,10,13,15H,5,8-9H2,1-2H3/t17-,20+;14-,17+;13-,14+;15-,18+;12-,14+;15-,16+;13-,15+/m0000000/s1.

What are the key properties of 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]purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-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-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-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 3094.64 g/mol, XLogP of 17.39, 33 rotatable bonds, 4 hydrogen bond donors, and 66 hydrogen bond acceptors.

Where does this data come from?

All data for 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]purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-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 159382952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).