1-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one

C18H18ClN5O2 — CID 7118509

IUPAC1-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)N1CCCCC1
InChIInChI=1S/C18H18ClN5O2/c19-13-4-6-14(7-5-13)24-17-15(10-21-24)18(26)23(12-20-17)11-16(25)22-8-2-1-3-9-22/h4-7,10,12H,1-3,8-9,11H2
InChIKeyPWQQKUJXLFXYIC-UHFFFAOYSA-N
MW371.83 g/mol
LogP2.25
Rot. Bonds3

About 1-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one

1-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 7118509) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID7118509
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name1-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)N1CCCCC1
InChIInChI=1S/C18H18ClN5O2/c19-13-4-6-14(7-5-13)24-17-15(10-21-24)18(26)23(12-20-17)11-16(25)22-8-2-1-3-9-22/h4-7,10,12H,1-3,8-9,11H2
InChIKeyPWQQKUJXLFXYIC-UHFFFAOYSA-N
XLogP2.25
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(3-chlorophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 7118509) is 1-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one is O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)N1CCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PWQQKUJXLFXYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c19-13-4-6-14(7-5-13)24-17-15(10-21-24)18(26)23(12-20-17)11-16(25)22-8-2-1-3-9-22/h4-7,10,12H,1-3,8-9,11H2.
What are the key properties of 1-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 371.83 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 7118509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).