N-(4-fluorophenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C21H19FN6O — CID 17017174

IUPACN-(4-fluorophenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2nc(N3CCOCC3)nc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C21H19FN6O/c22-15-6-8-16(9-7-15)24-19-18-14-23-28(17-4-2-1-3-5-17)20(18)26-21(25-19)27-10-12-29-13-11-27/h1-9,14H,10-13H2,(H,24,25,26)
InChIKeyPCAHQBOMPAGIKA-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.53
Rot. Bonds4

About N-(4-fluorophenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-(4-fluorophenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 17017174) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID17017174
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC NameN-(4-fluorophenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2nc(N3CCOCC3)nc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C21H19FN6O/c22-15-6-8-16(9-7-15)24-19-18-14-23-28(17-4-2-1-3-5-17)20(18)26-21(25-19)27-10-12-29-13-11-27/h1-9,14H,10-13H2,(H,24,25,26)
InChIKeyPCAHQBOMPAGIKA-UHFFFAOYSA-N
XLogP3.53
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-fluorophenyl)-6-morpholin-4-yl-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

Related Compounds

N-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17016776
N-(4-methylphenyl)-1-phenyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17016838
6-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017178
4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 17017143
N-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17016765
N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 993401
4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine
CID 4556262
(6-morpholin-4-yl-1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine
CID 170724777
N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017200
6-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 11840819
4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 8009259
N-(3,4-dimethylphenyl)-6-(3-methylpiperidin-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17016957

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 17017174) is N-(4-fluorophenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is Fc1ccc(Nc2nc(N3CCOCC3)nc3c2cnn3-c2ccccc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PCAHQBOMPAGIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c22-15-6-8-16(9-7-15)24-19-18-14-23-28(17-4-2-1-3-5-17)20(18)26-21(25-19)27-10-12-29-13-11-27/h1-9,14H,10-13H2,(H,24,25,26).
What are the key properties of N-(4-fluorophenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(4-fluorophenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 390.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 17017174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).