(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-(morpholin-4-ylmethyl)benzoate

C18H19N5O4 — CID 135789953

IUPAC(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-(morpholin-4-ylmethyl)benzoate
SMILESO=C(OCn1ncc2c(=O)[nH]cnc21)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C18H19N5O4/c24-17-15-9-21-23(16(15)19-11-20-17)12-27-18(25)14-3-1-13(2-4-14)10-22-5-7-26-8-6-22/h1-4,9,11H,5-8,10,12H2,(H,19,20,24)
InChIKeyPYTOEBAULXXAAW-UHFFFAOYSA-N
MW369.38 g/mol
LogP0.77
Rot. Bonds5

About (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-(morpholin-4-ylmethyl)benzoate

(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-(morpholin-4-ylmethyl)benzoate (PubChem CID 135789953) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-(morpholin-4-ylmethyl)benzoate.

Molecular Properties

Compound Name(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-(morpholin-4-ylmethyl)benzoate
PubChem CID135789953
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-(morpholin-4-ylmethyl)benzoate
SMILESO=C(OCn1ncc2c(=O)[nH]cnc21)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C18H19N5O4/c24-17-15-9-21-23(16(15)19-11-20-17)12-27-18(25)14-3-1-13(2-4-14)10-22-5-7-26-8-6-22/h1-4,9,11H,5-8,10,12H2,(H,19,20,24)
InChIKeyPYTOEBAULXXAAW-UHFFFAOYSA-N
XLogP0.77
TPSA102.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-(morpholin-4-ylmethyl)benzoate 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 (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-(morpholin-4-ylmethyl)benzoate?
The IUPAC name of (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-(morpholin-4-ylmethyl)benzoate (CID 135789953) is (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-(morpholin-4-ylmethyl)benzoate.
What is the SMILES notation for (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-(morpholin-4-ylmethyl)benzoate?
The canonical SMILES for (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-(morpholin-4-ylmethyl)benzoate is O=C(OCn1ncc2c(=O)[nH]cnc21)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-(morpholin-4-ylmethyl)benzoate?
The InChIKey is PYTOEBAULXXAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c24-17-15-9-21-23(16(15)19-11-20-17)12-27-18(25)14-3-1-13(2-4-14)10-22-5-7-26-8-6-22/h1-4,9,11H,5-8,10,12H2,(H,19,20,24).
What are the key properties of (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-(morpholin-4-ylmethyl)benzoate?
(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-(morpholin-4-ylmethyl)benzoate has a molecular weight of 369.38 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-(morpholin-4-ylmethyl)benzoate is sourced from PubChem (CID 135789953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).