1-methyl-6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one

C20H20N8O2 — CID 159377704

IUPAC1-methyl-6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1ccnc(N2C[C@@H]3C(c4noc(Cn5cnc6cnn(C)c6c5=O)n4)[C@@H]3C2)c1
InChIInChI=1S/C20H20N8O2/c1-11-3-4-21-15(5-11)27-7-12-13(8-27)17(12)19-24-16(30-25-19)9-28-10-22-14-6-23-26(2)18(14)20(28)29/h3-6,10,12-13,17H,7-9H2,1-2H3/t12-,13+,17?
InChIKeyFJDHVHLEXNZCSH-MPYYAJLASA-N
MW404.43 g/mol
LogP1.11
Rot. Bonds4

About 1-methyl-6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one

1-methyl-6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 159377704) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 1-methyl-6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1-methyl-6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID159377704
Molecular FormulaC20H20N8O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Name1-methyl-6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1ccnc(N2C[C@@H]3C(c4noc(Cn5cnc6cnn(C)c6c5=O)n4)[C@@H]3C2)c1
InChIInChI=1S/C20H20N8O2/c1-11-3-4-21-15(5-11)27-7-12-13(8-27)17(12)19-24-16(30-25-19)9-28-10-22-14-6-23-26(2)18(14)20(28)29/h3-6,10,12-13,17H,7-9H2,1-2H3/t12-,13+,17?
InChIKeyFJDHVHLEXNZCSH-MPYYAJLASA-N
XLogP1.11
TPSA107.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-methyl-6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-6-[[3-[(1S,5R)-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
CID 158220417
7-methyl-1-[[3-[(1R,5S)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
CID 158586253
3-methyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]pyridazin-4-one
CID 142422936
3-[[3-[3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one
CID 142422153
6-[[3-[(1R,5S)-3-(4-chloro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one
CID 142422720
1-[[3-[(1R,5S)-3-(2-fluoro-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one
CID 153307020
7-methyl-1-[[3-[3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
CID 158759257
7-methyl-1-[[3-[3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
CID 142422763
7-methyl-1-[[3-[(1S,5R)-3-quinolin-3-yl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
CID 153307091
1-[[3-[3-(5-chloro-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one
CID 142421867
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
CID 142422939
6-[[3-[(1S,5R)-3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one
CID 142422191

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1-methyl-6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one (CID 159377704) is 1-methyl-6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1-methyl-6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1-methyl-6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one is Cc1ccnc(N2C[C@@H]3C(c4noc(Cn5cnc6cnn(C)c6c5=O)n4)[C@@H]3C2)c1.
What is the InChIKey of 1-methyl-6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is FJDHVHLEXNZCSH-MPYYAJLASA-N. The full InChI is InChI=1S/C20H20N8O2/c1-11-3-4-21-15(5-11)27-7-12-13(8-27)17(12)19-24-16(30-25-19)9-28-10-22-14-6-23-26(2)18(14)20(28)29/h3-6,10,12-13,17H,7-9H2,1-2H3/t12-,13+,17?.
What are the key properties of 1-methyl-6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one?
1-methyl-6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 404.43 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 159377704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).