1-cyclobutyl-6-[(1R)-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C18H21N7O2 — CID 135873873

IUPAC1-cyclobutyl-6-[(1R)-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@H](c1nc2c(cnn2C2CCC2)c(=O)[nH]1)N1CC(Oc2ncccn2)C1
InChIInChI=1S/C18H21N7O2/c1-11(24-9-13(10-24)27-18-19-6-3-7-20-18)15-22-16-14(17(26)23-15)8-21-25(16)12-4-2-5-12/h3,6-8,11-13H,2,4-5,9-10H2,1H3,(H,22,23,26)/t11-/m1/s1
InChIKeyRWEDODZULSJMIG-LLVKDONJSA-N
MW367.41 g/mol
LogP1.46
Rot. Bonds5

About 1-cyclobutyl-6-[(1R)-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-cyclobutyl-6-[(1R)-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135873873) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-cyclobutyl-6-[(1R)-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclobutyl-6-[(1R)-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135873873
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name1-cyclobutyl-6-[(1R)-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@H](c1nc2c(cnn2C2CCC2)c(=O)[nH]1)N1CC(Oc2ncccn2)C1
InChIInChI=1S/C18H21N7O2/c1-11(24-9-13(10-24)27-18-19-6-3-7-20-18)15-22-16-14(17(26)23-15)8-21-25(16)12-4-2-5-12/h3,6-8,11-13H,2,4-5,9-10H2,1H3,(H,22,23,26)/t11-/m1/s1
InChIKeyRWEDODZULSJMIG-LLVKDONJSA-N
XLogP1.46
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-6-[(1R)-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclobutyl-6-[(1R)-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135873873) is 1-cyclobutyl-6-[(1R)-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclobutyl-6-[(1R)-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclobutyl-6-[(1R)-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@H](c1nc2c(cnn2C2CCC2)c(=O)[nH]1)N1CC(Oc2ncccn2)C1.
What is the InChIKey of 1-cyclobutyl-6-[(1R)-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is RWEDODZULSJMIG-LLVKDONJSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-11(24-9-13(10-24)27-18-19-6-3-7-20-18)15-22-16-14(17(26)23-15)8-21-25(16)12-4-2-5-12/h3,6-8,11-13H,2,4-5,9-10H2,1H3,(H,22,23,26)/t11-/m1/s1.
What are the key properties of 1-cyclobutyl-6-[(1R)-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclobutyl-6-[(1R)-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 367.41 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-6-[(1R)-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135873873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).