1,3-dimethyl-5-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-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-[(1R,5R,6S)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-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;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

C128H111FN44O12 — CID 158543223

IUPAC1,3-dimethyl-5-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-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-[(1R,5R,6S)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-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;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(Cn5cnc6c(c(C)nn6C)c5=O)n4)[C@@H]3C2)c1.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ncccc6F)C[C@@H]45)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(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(c6cccnc6)C[C@@H]54)no3)c(=O)c21
InChIInChI=1S/2C24H19N7O2.C21H22N8O2.2C20H17N7O2.C19H17FN8O2/c2*1-30-11-26-23-21(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;1-11-4-5-22-15(6-11)28-7-13-14(8-28)18(13)19-24-16(31-26-19)9-29-10-23-20-17(21(29)30)12(2)25-27(20)3;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;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/h2*2-7,9,11-12,17-18,20H,8,10H2,1H3;4-6,10,13-14,18H,7-9H2,1-3H3;2*2-5,7,9-10,13-14,16H,6,8H2,1H3;2-4,8-11,14H,5-7H2,1H3/t2*17-,18+,20+;13-,14+,18?;2*13-,14+,16+;10-,11+,14?/m10.10./s1
InChIKeyHOUBCEZTSDNFCM-FTCZTTDFSA-N
MW2476.59 g/mol
LogP11.77
Rot. Bonds24

About 1,3-dimethyl-5-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-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-[(1R,5R,6S)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-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;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-dimethyl-5-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-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-[(1R,5R,6S)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-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;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 158543223) has the molecular formula C128H111FN44O12 and a molecular weight of 2476.59 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-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-[(1R,5R,6S)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-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;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-dimethyl-5-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-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-[(1R,5R,6S)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-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;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 CID158543223
Molecular FormulaC128H111FN44O12
Molecular Weight2476.59 g/mol
Exact Mass2474.94
IUPAC Name1,3-dimethyl-5-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-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-[(1R,5R,6S)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-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;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(Cn5cnc6c(c(C)nn6C)c5=O)n4)[C@@H]3C2)c1.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ncccc6F)C[C@@H]45)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(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(c6cccnc6)C[C@@H]54)no3)c(=O)c21
InChIInChI=1S/2C24H19N7O2.C21H22N8O2.2C20H17N7O2.C19H17FN8O2/c2*1-30-11-26-23-21(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;1-11-4-5-22-15(6-11)28-7-13-14(8-28)18(13)19-24-16(31-26-19)9-29-10-23-20-17(21(29)30)12(2)25-27(20)3;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;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/h2*2-7,9,11-12,17-18,20H,8,10H2,1H3;4-6,10,13-14,18H,7-9H2,1-3H3;2*2-5,7,9-10,13-14,16H,6,8H2,1H3;2-4,8-11,14H,5-7H2,1H3/t2*17-,18+,20+;13-,14+,18?;2*13-,14+,16+;10-,11+,14?/m10.10./s1
InChIKeyHOUBCEZTSDNFCM-FTCZTTDFSA-N
XLogP11.77
TPSA633.60 Ų
H-Bond Donors
H-Bond Acceptors56
Rotatable Bonds24
Heavy Atoms185
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002476.59
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1056

Analyze 1,3-dimethyl-5-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-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-[(1R,5R,6S)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-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;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-dimethyl-5-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-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-[(1R,5R,6S)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-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;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-dimethyl-5-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-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-[(1R,5R,6S)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-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;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 158543223) is 1,3-dimethyl-5-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-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-[(1R,5R,6S)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-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;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-dimethyl-5-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-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-[(1R,5R,6S)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-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;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-dimethyl-5-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-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-[(1R,5R,6S)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-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;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(Cn5cnc6c(c(C)nn6C)c5=O)n4)[C@@H]3C2)c1.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ncccc6F)C[C@@H]45)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(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(c6cccnc6)C[C@@H]54)no3)c(=O)c21.
What is the InChIKey of 1,3-dimethyl-5-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-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-[(1R,5R,6S)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-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;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 HOUBCEZTSDNFCM-FTCZTTDFSA-N. The full InChI is InChI=1S/2C24H19N7O2.C21H22N8O2.2C20H17N7O2.C19H17FN8O2/c2*1-30-11-26-23-21(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;1-11-4-5-22-15(6-11)28-7-13-14(8-28)18(13)19-24-16(31-26-19)9-29-10-23-20-17(21(29)30)12(2)25-27(20)3;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;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/h2*2-7,9,11-12,17-18,20H,8,10H2,1H3;4-6,10,13-14,18H,7-9H2,1-3H3;2*2-5,7,9-10,13-14,16H,6,8H2,1H3;2-4,8-11,14H,5-7H2,1H3/t2*17-,18+,20+;13-,14+,18?;2*13-,14+,16+;10-,11+,14?/m10.10./s1.
What are the key properties of 1,3-dimethyl-5-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-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-[(1R,5R,6S)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-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;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-dimethyl-5-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-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-[(1R,5R,6S)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-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;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 2476.59 g/mol, XLogP of 11.77, 24 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-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-[(1R,5R,6S)-3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl]-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;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 158543223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).