N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C21H20N6O — CID 993401

IUPACN-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESc1ccc(-n2ncc3c(Nc4ccc(N5CCOCC5)cc4)ncnc32)cc1
InChIInChI=1S/C21H20N6O/c1-2-4-18(5-3-1)27-21-19(14-24-27)20(22-15-23-21)25-16-6-8-17(9-7-16)26-10-12-28-13-11-26/h1-9,14-15H,10-13H2,(H,22,23,25)
InChIKeyZAYRNOYRHPRYAK-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.40
Rot. Bonds4

About N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 993401) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID993401
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESc1ccc(-n2ncc3c(Nc4ccc(N5CCOCC5)cc4)ncnc32)cc1
InChIInChI=1S/C21H20N6O/c1-2-4-18(5-3-1)27-21-19(14-24-27)20(22-15-23-21)25-16-6-8-17(9-7-16)26-10-12-28-13-11-26/h1-9,14-15H,10-13H2,(H,22,23,25)
InChIKeyZAYRNOYRHPRYAK-UHFFFAOYSA-N
XLogP3.40
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 993401) is N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is c1ccc(-n2ncc3c(Nc4ccc(N5CCOCC5)cc4)ncnc32)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZAYRNOYRHPRYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-2-4-18(5-3-1)27-21-19(14-24-27)20(22-15-23-21)25-16-6-8-17(9-7-16)26-10-12-28-13-11-26/h1-9,14-15H,10-13H2,(H,22,23,25).
What are the key properties of N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 372.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 993401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).