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

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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).