5-(4-chlorophenyl)-6-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C27H22ClN5O2 — CID 11583894

IUPAC5-(4-chlorophenyl)-6-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2nc(-c2ccc(N3CCOCC3)cc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C27H22ClN5O2/c28-20-8-12-22(13-9-20)32-25(19-6-10-21(11-7-19)31-14-16-35-17-15-31)30-26-24(27(32)34)18-29-33(26)23-4-2-1-3-5-23/h1-13,18H,14-17H2
InChIKeySZUDOMLCODKDDA-UHFFFAOYSA-N
MW483.96 g/mol
LogP4.73
Rot. Bonds4

About 5-(4-chlorophenyl)-6-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-(4-chlorophenyl)-6-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 11583894) has the molecular formula C27H22ClN5O2 and a molecular weight of 483.96 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID11583894
Molecular FormulaC27H22ClN5O2
Molecular Weight483.96 g/mol
Exact Mass483.15
IUPAC Name5-(4-chlorophenyl)-6-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2nc(-c2ccc(N3CCOCC3)cc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C27H22ClN5O2/c28-20-8-12-22(13-9-20)32-25(19-6-10-21(11-7-19)31-14-16-35-17-15-31)30-26-24(27(32)34)18-29-33(26)23-4-2-1-3-5-23/h1-13,18H,14-17H2
InChIKeySZUDOMLCODKDDA-UHFFFAOYSA-N
XLogP4.73
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.96
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(4-chlorophenyl)-6-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 11583894) is 5-(4-chlorophenyl)-6-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-chlorophenyl)-6-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccccc3)c2nc(-c2ccc(N3CCOCC3)cc2)n1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SZUDOMLCODKDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN5O2/c28-20-8-12-22(13-9-20)32-25(19-6-10-21(11-7-19)31-14-16-35-17-15-31)30-26-24(27(32)34)18-29-33(26)23-4-2-1-3-5-23/h1-13,18H,14-17H2.
What are the key properties of 5-(4-chlorophenyl)-6-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-(4-chlorophenyl)-6-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 483.96 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 11583894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).