1-[[3-[(1R,5S)-3-(2,6-difluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,3S)-3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

C128H117F2N37O12 — CID 158631734

IUPAC1-[[3-[(1R,5S)-3-(2,6-difluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,3S)-3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccc(F)c(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1F.Cc1ccc([C@H]2CC[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)cc1.Cc1cccc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1.Cc1ccnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6)C[C@H]54)no3)c(=O)c12.Cn1cnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6)C[C@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@H]4[C@@H]5C=C(c6ccccc6)C[C@@H]54)no3)c(=O)c21
InChIInChI=1S/C23H19N5O2.C21H19F2N7O2.C21H21N7O2.2C21H18N6O2.C21H22N6O2/c1-13-7-8-24-21-19(13)23(29)28(12-25-21)11-18-26-22(27-30-18)20-16-9-15(10-17(16)20)14-5-3-2-4-6-14;1-10-3-4-13(22)17(16(10)23)29-5-11-12(6-29)15(11)19-26-14(32-27-19)7-30-9-25-20-18(21(30)31)28(2)8-24-20;1-12-4-3-5-13(6-12)27-7-14-15(8-27)17(14)19-24-16(30-25-19)9-28-11-23-20-18(21(28)29)26(2)10-22-20;2*1-26-10-22-20-18(26)21(28)27(11-23-20)9-16-24-19(25-29-16)17-14-7-13(8-15(14)17)12-5-3-2-4-6-12;1-13-3-5-14(6-4-13)15-7-8-16(9-15)19-24-17(29-25-19)10-27-12-23-20-18(21(27)28)26(2)11-22-20/h2-9,12,16-17,20H,10-11H2,1H3;3-4,8-9,11-12,15H,5-7H2,1-2H3;3-6,10-11,14-15,17H,7-9H2,1-2H3;2*2-7,10-11,14-15,17H,8-9H2,1H3;3-6,11-12,15-16H,7-10H2,1-2H3/t16-,17+,20+;11-,12+,15?;14-,15+,17?;2*14-,15+,17+;15-,16-/m0..100/s1
InChIKeyHZGYAEAPUCVTQP-KIMGIEMNSA-N
MW2403.59 g/mol
LogP14.74
Rot. Bonds24

About 1-[[3-[(1R,5S)-3-(2,6-difluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,3S)-3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

1-[[3-[(1R,5S)-3-(2,6-difluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,3S)-3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 158631734) has the molecular formula C128H117F2N37O12 and a molecular weight of 2403.59 g/mol. Its IUPAC name is 1-[[3-[(1R,5S)-3-(2,6-difluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,3S)-3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-[[3-[(1R,5S)-3-(2,6-difluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,3S)-3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID158631734
Molecular FormulaC128H117F2N37O12
Molecular Weight2403.59 g/mol
Exact Mass2401.97
IUPAC Name1-[[3-[(1R,5S)-3-(2,6-difluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,3S)-3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccc(F)c(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1F.Cc1ccc([C@H]2CC[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)cc1.Cc1cccc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1.Cc1ccnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6)C[C@H]54)no3)c(=O)c12.Cn1cnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6)C[C@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@H]4[C@@H]5C=C(c6ccccc6)C[C@@H]54)no3)c(=O)c21
InChIInChI=1S/C23H19N5O2.C21H19F2N7O2.C21H21N7O2.2C21H18N6O2.C21H22N6O2/c1-13-7-8-24-21-19(13)23(29)28(12-25-21)11-18-26-22(27-30-18)20-16-9-15(10-17(16)20)14-5-3-2-4-6-14;1-10-3-4-13(22)17(16(10)23)29-5-11-12(6-29)15(11)19-26-14(32-27-19)7-30-9-25-20-18(21(30)31)28(2)8-24-20;1-12-4-3-5-13(6-12)27-7-14-15(8-27)17(14)19-24-16(30-25-19)9-28-11-23-20-18(21(28)29)26(2)10-22-20;2*1-26-10-22-20-18(26)21(28)27(11-23-20)9-16-24-19(25-29-16)17-14-7-13(8-15(14)17)12-5-3-2-4-6-12;1-13-3-5-14(6-4-13)15-7-8-16(9-15)19-24-17(29-25-19)10-27-12-23-20-18(21(27)28)26(2)11-22-20/h2-9,12,16-17,20H,10-11H2,1H3;3-4,8-9,11-12,15H,5-7H2,1-2H3;3-6,10-11,14-15,17H,7-9H2,1-2H3;2*2-7,10-11,14-15,17H,8-9H2,1H3;3-6,11-12,15-16H,7-10H2,1-2H3/t16-,17+,20+;11-,12+,15?;14-,15+,17?;2*14-,15+,17+;15-,16-/m0..100/s1
InChIKeyHZGYAEAPUCVTQP-KIMGIEMNSA-N
XLogP14.74
TPSA551.33 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds24
Heavy Atoms179
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002403.59
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Analyze 1-[[3-[(1R,5S)-3-(2,6-difluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,3S)-3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(1R,5S)-3-(2,6-difluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,3S)-3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 1-[[3-[(1R,5S)-3-(2,6-difluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,3S)-3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 158631734) is 1-[[3-[(1R,5S)-3-(2,6-difluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,3S)-3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 1-[[3-[(1R,5S)-3-(2,6-difluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,3S)-3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 1-[[3-[(1R,5S)-3-(2,6-difluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,3S)-3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is Cc1ccc(F)c(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1F.Cc1ccc([C@H]2CC[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)cc1.Cc1cccc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1.Cc1ccnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6)C[C@H]54)no3)c(=O)c12.Cn1cnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6)C[C@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@H]4[C@@H]5C=C(c6ccccc6)C[C@@H]54)no3)c(=O)c21.
What is the InChIKey of 1-[[3-[(1R,5S)-3-(2,6-difluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,3S)-3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is HZGYAEAPUCVTQP-KIMGIEMNSA-N. The full InChI is InChI=1S/C23H19N5O2.C21H19F2N7O2.C21H21N7O2.2C21H18N6O2.C21H22N6O2/c1-13-7-8-24-21-19(13)23(29)28(12-25-21)11-18-26-22(27-30-18)20-16-9-15(10-17(16)20)14-5-3-2-4-6-14;1-10-3-4-13(22)17(16(10)23)29-5-11-12(6-29)15(11)19-26-14(32-27-19)7-30-9-25-20-18(21(30)31)28(2)8-24-20;1-12-4-3-5-13(6-12)27-7-14-15(8-27)17(14)19-24-16(30-25-19)9-28-11-23-20-18(21(28)29)26(2)10-22-20;2*1-26-10-22-20-18(26)21(28)27(11-23-20)9-16-24-19(25-29-16)17-14-7-13(8-15(14)17)12-5-3-2-4-6-12;1-13-3-5-14(6-4-13)15-7-8-16(9-15)19-24-17(29-25-19)10-27-12-23-20-18(21(27)28)26(2)11-22-20/h2-9,12,16-17,20H,10-11H2,1H3;3-4,8-9,11-12,15H,5-7H2,1-2H3;3-6,10-11,14-15,17H,7-9H2,1-2H3;2*2-7,10-11,14-15,17H,8-9H2,1H3;3-6,11-12,15-16H,7-10H2,1-2H3/t16-,17+,20+;11-,12+,15?;14-,15+,17?;2*14-,15+,17+;15-,16-/m0..100/s1.
What are the key properties of 1-[[3-[(1R,5S)-3-(2,6-difluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,3S)-3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
1-[[3-[(1R,5S)-3-(2,6-difluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,3S)-3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 2403.59 g/mol, XLogP of 14.74, 24 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(1R,5S)-3-(2,6-difluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,3S)-3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 158631734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).