1-[[3-[(1R,5S)-3-(3-cyclopropylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

C133H126F2N36O12 — CID 158812855

IUPAC1-[[3-[(1R,5S)-3-(3-cyclopropylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
SMILESCc1ccc(C2(F)CC(c3noc(Cn4cnc5cnccc5c4=O)n3)C2)cc1.Cc1ccc(C2(F)CC(c3noc(Cn4cnc5ncccc5c4=O)n3)C2)cc1.Cc1cccc(C2CC(c3noc(Cn4cnc5ncccc5c4=O)n3)C2)c1.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccc7c(c6)CCC7)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccc7c(c6)CCCC7)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6cccc(C7CC7)c6)C[C@@H]45)no3)c(=O)c21
InChIInChI=1S/C24H25N7O2.2C23H23N7O2.2C21H18FN5O2.C21H19N5O2/c1-29-12-25-23-21(29)24(32)31(13-26-23)11-19-27-22(28-33-19)20-17-9-30(10-18(17)20)16-7-6-14-4-2-3-5-15(14)8-16;1-28-11-24-22-20(28)23(31)30(12-25-22)10-18-26-21(27-32-18)19-16-8-29(9-17(16)19)15-4-2-3-14(7-15)13-5-6-13;1-28-11-24-22-20(28)23(31)30(12-25-22)10-18-26-21(27-32-18)19-16-8-29(9-17(16)19)15-6-5-13-3-2-4-14(13)7-15;1-13-2-4-15(5-3-13)21(22)8-14(9-21)19-25-18(29-26-19)11-27-12-24-17-10-23-7-6-16(17)20(27)28;1-13-4-6-15(7-5-13)21(22)9-14(10-21)18-25-17(29-26-18)11-27-12-24-19-16(20(27)28)3-2-8-23-19;1-13-4-2-5-14(8-13)15-9-16(10-15)19-24-18(28-25-19)11-26-12-23-20-17(21(26)27)6-3-7-22-20/h6-8,12-13,17-18,20H,2-5,9-11H2,1H3;2-4,7,11-13,16-17,19H,5-6,8-10H2,1H3;5-7,11-12,16-17,19H,2-4,8-10H2,1H3;2-7,10,12,14H,8-9,11H2,1H3;2-8,12,14H,9-11H2,1H3;2-8,12,15-16H,9-11H2,1H3/t17-,18+,20?;2*16-,17+,19?;;;
InChIKeyIUXCXGPTNUPJHR-RIJOIVJFSA-N
MW2458.71 g/mol
LogP16.22
Rot. Bonds25

About 1-[[3-[(1R,5S)-3-(3-cyclopropylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

1-[[3-[(1R,5S)-3-(3-cyclopropylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (PubChem CID 158812855) has the molecular formula C133H126F2N36O12 and a molecular weight of 2458.71 g/mol. Its IUPAC name is 1-[[3-[(1R,5S)-3-(3-cyclopropylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.

Molecular Properties

Compound Name1-[[3-[(1R,5S)-3-(3-cyclopropylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
PubChem CID158812855
Molecular FormulaC133H126F2N36O12
Molecular Weight2458.71 g/mol
Exact Mass2457.03
IUPAC Name1-[[3-[(1R,5S)-3-(3-cyclopropylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
SMILESCc1ccc(C2(F)CC(c3noc(Cn4cnc5cnccc5c4=O)n3)C2)cc1.Cc1ccc(C2(F)CC(c3noc(Cn4cnc5ncccc5c4=O)n3)C2)cc1.Cc1cccc(C2CC(c3noc(Cn4cnc5ncccc5c4=O)n3)C2)c1.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccc7c(c6)CCC7)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccc7c(c6)CCCC7)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6cccc(C7CC7)c6)C[C@@H]45)no3)c(=O)c21
InChIInChI=1S/C24H25N7O2.2C23H23N7O2.2C21H18FN5O2.C21H19N5O2/c1-29-12-25-23-21(29)24(32)31(13-26-23)11-19-27-22(28-33-19)20-17-9-30(10-18(17)20)16-7-6-14-4-2-3-5-15(14)8-16;1-28-11-24-22-20(28)23(31)30(12-25-22)10-18-26-21(27-32-18)19-16-8-29(9-17(16)19)15-4-2-3-14(7-15)13-5-6-13;1-28-11-24-22-20(28)23(31)30(12-25-22)10-18-26-21(27-32-18)19-16-8-29(9-17(16)19)15-6-5-13-3-2-4-14(13)7-15;1-13-2-4-15(5-3-13)21(22)8-14(9-21)19-25-18(29-26-19)11-27-12-24-17-10-23-7-6-16(17)20(27)28;1-13-4-6-15(7-5-13)21(22)9-14(10-21)18-25-17(29-26-18)11-27-12-24-19-16(20(27)28)3-2-8-23-19;1-13-4-2-5-14(8-13)15-9-16(10-15)19-24-18(28-25-19)11-26-12-23-20-17(21(26)27)6-3-7-22-20/h6-8,12-13,17-18,20H,2-5,9-11H2,1H3;2-4,7,11-13,16-17,19H,5-6,8-10H2,1H3;5-7,11-12,16-17,19H,2-4,8-10H2,1H3;2-7,10,12,14H,8-9,11H2,1H3;2-8,12,14H,9-11H2,1H3;2-8,12,15-16H,9-11H2,1H3/t17-,18+,20?;2*16-,17+,19?;;;
InChIKeyIUXCXGPTNUPJHR-RIJOIVJFSA-N
XLogP16.22
TPSA544.71 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds25
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002458.71
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[[3-[(1R,5S)-3-(3-cyclopropylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-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-[(1R,5S)-3-(3-cyclopropylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The IUPAC name of 1-[[3-[(1R,5S)-3-(3-cyclopropylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (CID 158812855) is 1-[[3-[(1R,5S)-3-(3-cyclopropylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.
What is the SMILES notation for 1-[[3-[(1R,5S)-3-(3-cyclopropylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The canonical SMILES for 1-[[3-[(1R,5S)-3-(3-cyclopropylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is Cc1ccc(C2(F)CC(c3noc(Cn4cnc5cnccc5c4=O)n3)C2)cc1.Cc1ccc(C2(F)CC(c3noc(Cn4cnc5ncccc5c4=O)n3)C2)cc1.Cc1cccc(C2CC(c3noc(Cn4cnc5ncccc5c4=O)n3)C2)c1.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccc7c(c6)CCC7)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccc7c(c6)CCCC7)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6cccc(C7CC7)c6)C[C@@H]45)no3)c(=O)c21.
What is the InChIKey of 1-[[3-[(1R,5S)-3-(3-cyclopropylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The InChIKey is IUXCXGPTNUPJHR-RIJOIVJFSA-N. The full InChI is InChI=1S/C24H25N7O2.2C23H23N7O2.2C21H18FN5O2.C21H19N5O2/c1-29-12-25-23-21(29)24(32)31(13-26-23)11-19-27-22(28-33-19)20-17-9-30(10-18(17)20)16-7-6-14-4-2-3-5-15(14)8-16;1-28-11-24-22-20(28)23(31)30(12-25-22)10-18-26-21(27-32-18)19-16-8-29(9-17(16)19)15-4-2-3-14(7-15)13-5-6-13;1-28-11-24-22-20(28)23(31)30(12-25-22)10-18-26-21(27-32-18)19-16-8-29(9-17(16)19)15-6-5-13-3-2-4-14(13)7-15;1-13-2-4-15(5-3-13)21(22)8-14(9-21)19-25-18(29-26-19)11-27-12-24-17-10-23-7-6-16(17)20(27)28;1-13-4-6-15(7-5-13)21(22)9-14(10-21)18-25-17(29-26-18)11-27-12-24-19-16(20(27)28)3-2-8-23-19;1-13-4-2-5-14(8-13)15-9-16(10-15)19-24-18(28-25-19)11-26-12-23-20-17(21(26)27)6-3-7-22-20/h6-8,12-13,17-18,20H,2-5,9-11H2,1H3;2-4,7,11-13,16-17,19H,5-6,8-10H2,1H3;5-7,11-12,16-17,19H,2-4,8-10H2,1H3;2-7,10,12,14H,8-9,11H2,1H3;2-8,12,14H,9-11H2,1H3;2-8,12,15-16H,9-11H2,1H3/t17-,18+,20?;2*16-,17+,19?;;;.
What are the key properties of 1-[[3-[(1R,5S)-3-(3-cyclopropylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
1-[[3-[(1R,5S)-3-(3-cyclopropylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one has a molecular weight of 2458.71 g/mol, XLogP of 16.22, 25 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(1R,5S)-3-(3-cyclopropylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is sourced from PubChem (CID 158812855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).