5-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C17H17N5O3 — CID 5310584

IUPAC5-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCOCC1
InChIInChI=1S/C17H17N5O3/c23-15(20-6-8-25-9-7-20)11-21-12-18-16-14(17(21)24)10-19-22(16)13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2
InChIKeyWEIRCQQHQLEUKP-UHFFFAOYSA-N
MW339.35 g/mol
LogP0.44
Rot. Bonds3

About 5-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 5310584) has the molecular formula C17H17N5O3 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID5310584
Molecular FormulaC17H17N5O3
Molecular Weight339.35 g/mol
Exact Mass339.13
IUPAC Name5-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCOCC1
InChIInChI=1S/C17H17N5O3/c23-15(20-6-8-25-9-7-20)11-21-12-18-16-14(17(21)24)10-19-22(16)13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2
InChIKeyWEIRCQQHQLEUKP-UHFFFAOYSA-N
XLogP0.44
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
1,5-dihydro-1-phenyl-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408735
5-Allyl-6-benzyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 722802
2-[1-(3,4-Dimethyl-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-N,N-dimethyl-acetamide
CID 1433582
(4-Oxo-1-p-tolyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetic acid methyl ester
CID 1433589
N-(2-methoxyethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide
CID 3227789
methyl (4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate
CID 6620190
4-methyl-N-[4-(morpholine-4-carbonyl)-2-phenylpyrazol-3-yl]benzamide
CID 1372063
N-(4-acetamidophenyl)-2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetamide
CID 3242942
Pyrazolo[3,4-d]pyrimidin-4(5H)-one, 5-allyl-6-methyl-1-phenyl-
CID 535047
5-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 706707
3-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-7-phenyl-3,7-dihydro-pyrazolo[3,4-d][1,2,3]triazin-4-one
CID 647915

Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 5310584) is 5-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCOCC1.
What is the InChIKey of 5-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is WEIRCQQHQLEUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-15(20-6-8-25-9-7-20)11-21-12-18-16-14(17(21)24)10-19-22(16)13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2.
What are the key properties of 5-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 339.35 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 5310584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).