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

C19H23N7O3 — CID 136613068

IUPAC1-(oxan-4-yl)-6-[1-(3-pyrazin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2cnccn2)C1
InChIInChI=1S/C19H23N7O3/c1-12(25-10-14(11-25)29-16-9-20-4-5-21-16)17-23-18-15(19(27)24-17)8-22-26(18)13-2-6-28-7-3-13/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3,(H,23,24,27)
InChIKeySCSFWXWJDXWWOC-UHFFFAOYSA-N
MW397.44 g/mol
LogP1.09
Rot. Bonds5

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

1-(oxan-4-yl)-6-[1-(3-pyrazin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136613068) has the molecular formula C19H23N7O3 and a molecular weight of 397.44 g/mol. Its IUPAC name is 1-(oxan-4-yl)-6-[1-(3-pyrazin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(oxan-4-yl)-6-[1-(3-pyrazin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136613068
Molecular FormulaC19H23N7O3
Molecular Weight397.44 g/mol
Exact Mass397.19
IUPAC Name1-(oxan-4-yl)-6-[1-(3-pyrazin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2cnccn2)C1
InChIInChI=1S/C19H23N7O3/c1-12(25-10-14(11-25)29-16-9-20-4-5-21-16)17-23-18-15(19(27)24-17)8-22-26(18)13-2-6-28-7-3-13/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3,(H,23,24,27)
InChIKeySCSFWXWJDXWWOC-UHFFFAOYSA-N
XLogP1.09
TPSA111.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(oxan-4-yl)-6-[1-(3-pyrazin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-6-[1-(3-pyrazin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(oxan-4-yl)-6-[1-(3-pyrazin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136613068) is 1-(oxan-4-yl)-6-[1-(3-pyrazin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(oxan-4-yl)-6-[1-(3-pyrazin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(oxan-4-yl)-6-[1-(3-pyrazin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2cnccn2)C1.
What is the InChIKey of 1-(oxan-4-yl)-6-[1-(3-pyrazin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SCSFWXWJDXWWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3/c1-12(25-10-14(11-25)29-16-9-20-4-5-21-16)17-23-18-15(19(27)24-17)8-22-26(18)13-2-6-28-7-3-13/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3,(H,23,24,27).
What are the key properties of 1-(oxan-4-yl)-6-[1-(3-pyrazin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-(oxan-4-yl)-6-[1-(3-pyrazin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 397.44 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-6-[1-(3-pyrazin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136613068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).