4-[1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine

C16H16ClN5O — CID 929887

IUPAC4-[1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESClc1ccc(Cn2ncc3c(N4CCOCC4)ncnc32)cc1
InChIInChI=1S/C16H16ClN5O/c17-13-3-1-12(2-4-13)10-22-16-14(9-20-22)15(18-11-19-16)21-5-7-23-8-6-21/h1-4,9,11H,5-8,10H2
InChIKeyYJSKBVFPCXOWIH-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.36
Rot. Bonds3

About 4-[1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine

4-[1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine (PubChem CID 929887) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 4-[1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
PubChem CID929887
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name4-[1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESClc1ccc(Cn2ncc3c(N4CCOCC4)ncnc32)cc1
InChIInChI=1S/C16H16ClN5O/c17-13-3-1-12(2-4-13)10-22-16-14(9-20-22)15(18-11-19-16)21-5-7-23-8-6-21/h1-4,9,11H,5-8,10H2
InChIKeyYJSKBVFPCXOWIH-UHFFFAOYSA-N
XLogP2.36
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine (CID 929887) is 4-[1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine is Clc1ccc(Cn2ncc3c(N4CCOCC4)ncnc32)cc1.
What is the InChIKey of 4-[1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is YJSKBVFPCXOWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c17-13-3-1-12(2-4-13)10-22-16-14(9-20-22)15(18-11-19-16)21-5-7-23-8-6-21/h1-4,9,11H,5-8,10H2.
What are the key properties of 4-[1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
4-[1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 329.79 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 929887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).