1-[[3-[(1S,5R)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5R)-3-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-2-yl-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-pyridin-2-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-3-yl-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-pyridin-3-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

C162H141F2N59O16 — CID 158858988

IUPAC1-[[3-[(1S,5R)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5R)-3-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-2-yl-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-pyridin-2-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-3-yl-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-pyridin-3-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
SMILESCc1ccnc(N2C[C@@H]3C(c4noc(Cn5cnc6nnn(C)c6c5=O)n4)[C@@H]3C2)c1.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccccc6F)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ncccc6F)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccn6)C[C@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6cccnc6)C[C@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@H]4[C@@H]5C=C(c6ccc7ccncc7c6)C[C@@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@H]4[C@@H]5C=C(c6ccccn6)C[C@@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@H]4[C@@H]5C=C(c6cccnc6)C[C@@H]54)no3)c(=O)c21
InChIInChI=1S/C24H19N7O2.C20H18FN7O2.4C20H17N7O2.C19H17FN8O2.C19H19N9O2/c1-30-11-26-23-21(30)24(32)31(12-27-23)10-19-28-22(29-33-19)20-17-7-15(8-18(17)20)14-3-2-13-4-5-25-9-16(13)6-14;1-26-9-22-19-17(26)20(29)28(10-23-19)8-15-24-18(25-30-15)16-11-6-27(7-12(11)16)14-5-3-2-4-13(14)21;2*1-26-9-22-19-17(26)20(28)27(10-23-19)8-15-24-18(25-29-15)16-13-5-12(6-14(13)16)11-3-2-4-21-7-11;2*1-26-9-22-19-17(26)20(28)27(10-23-19)8-15-24-18(25-29-15)16-12-6-11(7-13(12)16)14-4-2-3-5-21-14;1-26-8-22-17-15(26)19(29)28(9-23-17)7-13-24-16(25-30-13)14-10-5-27(6-11(10)14)18-12(20)3-2-4-21-18;1-10-3-4-20-13(5-10)27-6-11-12(7-27)15(11)17-22-14(30-24-17)8-28-9-21-18-16(19(28)29)26(2)25-23-18/h2-7,9,11-12,17-18,20H,8,10H2,1H3;2-5,9-12,16H,6-8H2,1H3;2*2-5,7,9-10,13-14,16H,6,8H2,1H3;2*2-6,9-10,12-13,16H,7-8H2,1H3;2-4,8-11,14H,5-7H2,1H3;3-5,9,11-12,15H,6-8H2,1-2H3/t17-,18+,20+;11-,12+,16?;2*13-,14+,16+;2*12-,13+,16+;10-,11+,14?;11-,12+,15?/m1.1010../s1
InChIKeyJAKMGRZUIDEFOT-QRROMLBZSA-N
MW3208.30 g/mol
LogP13.02
Rot. Bonds32

About 1-[[3-[(1S,5R)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5R)-3-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-2-yl-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-pyridin-2-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-3-yl-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-pyridin-3-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

1-[[3-[(1S,5R)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5R)-3-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-2-yl-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-pyridin-2-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-3-yl-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-pyridin-3-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (PubChem CID 158858988) has the molecular formula C162H141F2N59O16 and a molecular weight of 3208.30 g/mol. Its IUPAC name is 1-[[3-[(1S,5R)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5R)-3-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-2-yl-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-pyridin-2-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-3-yl-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-pyridin-3-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.

Molecular Properties

Compound Name1-[[3-[(1S,5R)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5R)-3-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-2-yl-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-pyridin-2-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-3-yl-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-pyridin-3-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
PubChem CID158858988
Molecular FormulaC162H141F2N59O16
Molecular Weight3208.30 g/mol
Exact Mass3206.20
IUPAC Name1-[[3-[(1S,5R)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5R)-3-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-2-yl-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-pyridin-2-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-3-yl-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-pyridin-3-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
SMILESCc1ccnc(N2C[C@@H]3C(c4noc(Cn5cnc6nnn(C)c6c5=O)n4)[C@@H]3C2)c1.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccccc6F)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ncccc6F)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccn6)C[C@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6cccnc6)C[C@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@H]4[C@@H]5C=C(c6ccc7ccncc7c6)C[C@@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@H]4[C@@H]5C=C(c6ccccn6)C[C@@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@H]4[C@@H]5C=C(c6cccnc6)C[C@@H]54)no3)c(=O)c21
InChIInChI=1S/C24H19N7O2.C20H18FN7O2.4C20H17N7O2.C19H17FN8O2.C19H19N9O2/c1-30-11-26-23-21(30)24(32)31(12-27-23)10-19-28-22(29-33-19)20-17-7-15(8-18(17)20)14-3-2-13-4-5-25-9-16(13)6-14;1-26-9-22-19-17(26)20(29)28(10-23-19)8-15-24-18(25-30-15)16-11-6-27(7-12(11)16)14-5-3-2-4-13(14)21;2*1-26-9-22-19-17(26)20(28)27(10-23-19)8-15-24-18(25-29-15)16-13-5-12(6-14(13)16)11-3-2-4-21-7-11;2*1-26-9-22-19-17(26)20(28)27(10-23-19)8-15-24-18(25-29-15)16-12-6-11(7-13(12)16)14-4-2-3-5-21-14;1-26-8-22-17-15(26)19(29)28(9-23-17)7-13-24-16(25-30-13)14-10-5-27(6-11(10)14)18-12(20)3-2-4-21-18;1-10-3-4-20-13(5-10)27-6-11-12(7-27)15(11)17-22-14(30-24-17)8-28-9-21-18-16(19(28)29)26(2)25-23-18/h2-7,9,11-12,17-18,20H,8,10H2,1H3;2-5,9-12,16H,6-8H2,1H3;2*2-5,7,9-10,13-14,16H,6,8H2,1H3;2*2-6,9-10,12-13,16H,7-8H2,1H3;2-4,8-11,14H,5-7H2,1H3;3-5,9,11-12,15H,6-8H2,1-2H3/t17-,18+,20+;11-,12+,16?;2*13-,14+,16+;2*12-,13+,16+;10-,11+,14?;11-,12+,15?/m1.1010../s1
InChIKeyJAKMGRZUIDEFOT-QRROMLBZSA-N
XLogP13.02
TPSA845.88 Ų
H-Bond Donors
H-Bond Acceptors75
Rotatable Bonds32
Heavy Atoms239
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003208.30
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1075

Analyze 1-[[3-[(1S,5R)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5R)-3-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-2-yl-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-pyridin-2-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-3-yl-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-pyridin-3-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(1S,5R)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5R)-3-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-2-yl-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-pyridin-2-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-3-yl-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-pyridin-3-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The IUPAC name of 1-[[3-[(1S,5R)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5R)-3-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-2-yl-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-pyridin-2-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-3-yl-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-pyridin-3-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (CID 158858988) is 1-[[3-[(1S,5R)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5R)-3-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-2-yl-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-pyridin-2-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-3-yl-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-pyridin-3-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.
What is the SMILES notation for 1-[[3-[(1S,5R)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5R)-3-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-2-yl-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-pyridin-2-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-3-yl-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-pyridin-3-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The canonical SMILES for 1-[[3-[(1S,5R)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5R)-3-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-2-yl-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-pyridin-2-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-3-yl-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-pyridin-3-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is Cc1ccnc(N2C[C@@H]3C(c4noc(Cn5cnc6nnn(C)c6c5=O)n4)[C@@H]3C2)c1.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccccc6F)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ncccc6F)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccn6)C[C@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6cccnc6)C[C@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@H]4[C@@H]5C=C(c6ccc7ccncc7c6)C[C@@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@H]4[C@@H]5C=C(c6ccccn6)C[C@@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@H]4[C@@H]5C=C(c6cccnc6)C[C@@H]54)no3)c(=O)c21.
What is the InChIKey of 1-[[3-[(1S,5R)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5R)-3-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-2-yl-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-pyridin-2-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-3-yl-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-pyridin-3-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The InChIKey is JAKMGRZUIDEFOT-QRROMLBZSA-N. The full InChI is InChI=1S/C24H19N7O2.C20H18FN7O2.4C20H17N7O2.C19H17FN8O2.C19H19N9O2/c1-30-11-26-23-21(30)24(32)31(12-27-23)10-19-28-22(29-33-19)20-17-7-15(8-18(17)20)14-3-2-13-4-5-25-9-16(13)6-14;1-26-9-22-19-17(26)20(29)28(10-23-19)8-15-24-18(25-30-15)16-11-6-27(7-12(11)16)14-5-3-2-4-13(14)21;2*1-26-9-22-19-17(26)20(28)27(10-23-19)8-15-24-18(25-29-15)16-13-5-12(6-14(13)16)11-3-2-4-21-7-11;2*1-26-9-22-19-17(26)20(28)27(10-23-19)8-15-24-18(25-29-15)16-12-6-11(7-13(12)16)14-4-2-3-5-21-14;1-26-8-22-17-15(26)19(29)28(9-23-17)7-13-24-16(25-30-13)14-10-5-27(6-11(10)14)18-12(20)3-2-4-21-18;1-10-3-4-20-13(5-10)27-6-11-12(7-27)15(11)17-22-14(30-24-17)8-28-9-21-18-16(19(28)29)26(2)25-23-18/h2-7,9,11-12,17-18,20H,8,10H2,1H3;2-5,9-12,16H,6-8H2,1H3;2*2-5,7,9-10,13-14,16H,6,8H2,1H3;2*2-6,9-10,12-13,16H,7-8H2,1H3;2-4,8-11,14H,5-7H2,1H3;3-5,9,11-12,15H,6-8H2,1-2H3/t17-,18+,20+;11-,12+,16?;2*13-,14+,16+;2*12-,13+,16+;10-,11+,14?;11-,12+,15?/m1.1010../s1.
What are the key properties of 1-[[3-[(1S,5R)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5R)-3-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-2-yl-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-pyridin-2-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-3-yl-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-pyridin-3-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
1-[[3-[(1S,5R)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5R)-3-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-2-yl-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-pyridin-2-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-3-yl-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-pyridin-3-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one has a molecular weight of 3208.30 g/mol, XLogP of 13.02, 32 rotatable bonds, 0 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(1S,5R)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5R)-3-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-2-yl-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-pyridin-2-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-pyridin-3-yl-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-pyridin-3-yl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is sourced from PubChem (CID 158858988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).