4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)aniline

C21H20N6O — CID 44606999

IUPAC4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)aniline
SMILESNc1ccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C21H20N6O/c22-16-8-6-15(7-9-16)19-24-20(26-10-12-28-13-11-26)18-14-23-27(21(18)25-19)17-4-2-1-3-5-17/h1-9,14H,10-13,22H2
InChIKeyCBRULMYFULTTGF-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.90
Rot. Bonds3

About 4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)aniline

4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)aniline (PubChem CID 44606999) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)aniline.

Molecular Properties

Compound Name4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)aniline
PubChem CID44606999
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)aniline
SMILESNc1ccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C21H20N6O/c22-16-8-6-15(7-9-16)19-24-20(26-10-12-28-13-11-26)18-14-23-27(21(18)25-19)17-4-2-1-3-5-17/h1-9,14H,10-13,22H2
InChIKeyCBRULMYFULTTGF-UHFFFAOYSA-N
XLogP2.90
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)aniline?
The IUPAC name of 4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)aniline (CID 44606999) is 4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)aniline.
What is the SMILES notation for 4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)aniline?
The canonical SMILES for 4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)aniline is Nc1ccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)cc1.
What is the InChIKey of 4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)aniline?
The InChIKey is CBRULMYFULTTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c22-16-8-6-15(7-9-16)19-24-20(26-10-12-28-13-11-26)18-14-23-27(21(18)25-19)17-4-2-1-3-5-17/h1-9,14H,10-13,22H2.
What are the key properties of 4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)aniline?
4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)aniline has a molecular weight of 372.43 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)aniline is sourced from PubChem (CID 44606999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).