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

C17H16ClN5O3 — CID 1433734

IUPAC1-(2-chlorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)N1CCOCC1
InChIInChI=1S/C17H16ClN5O3/c18-13-3-1-2-4-14(13)23-16-12(9-20-23)17(25)22(11-19-16)10-15(24)21-5-7-26-8-6-21/h1-4,9,11H,5-8,10H2
InChIKeyQDNZWMLNOKHEAS-UHFFFAOYSA-N
MW373.80 g/mol
LogP1.09
Rot. Bonds3

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

1-(2-chlorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 1433734) has the molecular formula C17H16ClN5O3 and a molecular weight of 373.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID1433734
Molecular FormulaC17H16ClN5O3
Molecular Weight373.80 g/mol
Exact Mass373.09
IUPAC Name1-(2-chlorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)N1CCOCC1
InChIInChI=1S/C17H16ClN5O3/c18-13-3-1-2-4-14(13)23-16-12(9-20-23)17(25)22(11-19-16)10-15(24)21-5-7-26-8-6-21/h1-4,9,11H,5-8,10H2
InChIKeyQDNZWMLNOKHEAS-UHFFFAOYSA-N
XLogP1.09
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl (4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate
CID 6620190
2-[1-(2-Chloro-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-N,N-dimethyl-acetamide
CID 648379
1-(2-Chloro-phenyl)-5-pyridin-3-ylmethyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 649245
1-(4-Fluoro-phenyl)-5-{2-[4-(2-fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 650213
5-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 650328
5-(4-chlorophenyl)-6-methyl-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 692972
methyl 2-[1-(4-chlorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]butanoate
CID 3240514
5-butyl-1-(4-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3241247
2-(1-(4-chlorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 3243611
2-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(4-chlorophenyl)acetamide
CID 3245361
2-[1-(4-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-N-cyclohexylacetamide
CID 5310010
5-(2-Morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
CID 5310584

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2-chlorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 1433734) is 1-(2-chlorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2-chlorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one is O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)N1CCOCC1.
What is the InChIKey of 1-(2-chlorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is QDNZWMLNOKHEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O3/c18-13-3-1-2-4-14(13)23-16-12(9-20-23)17(25)22(11-19-16)10-15(24)21-5-7-26-8-6-21/h1-4,9,11H,5-8,10H2.
What are the key properties of 1-(2-chlorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-(2-chlorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 373.80 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 1433734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).