4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine

C23H24FN7O — CID 17017143

IUPAC4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESFc1ccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C23H24FN7O/c24-17-6-8-18(9-7-17)27-21-20-16-26-31(19-4-2-1-3-5-19)22(20)29-23(28-21)25-10-11-30-12-14-32-15-13-30/h1-9,16H,10-15H2,(H2,25,27,28,29)
InChIKeyGAYTZVSEEIXOCJ-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.44
Rot. Bonds7

About 4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine

4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 17017143) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID17017143
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC Name4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESFc1ccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C23H24FN7O/c24-17-6-8-18(9-7-17)27-21-20-16-26-31(19-4-2-1-3-5-19)22(20)29-23(28-21)25-10-11-30-12-14-32-15-13-30/h1-9,16H,10-15H2,(H2,25,27,28,29)
InChIKeyGAYTZVSEEIXOCJ-UHFFFAOYSA-N
XLogP3.44
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-fluorophenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017174
2-[[4-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol
CID 7708480
1-methyl-4-N-(4-methylphenyl)-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795124
6-N-(3-methylbutyl)-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 17016815
4-N-(4-chlorophenyl)-6-N-(3-methylbutyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 17017111
6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137258334
N-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17016776
6-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017178
N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 993401
4-N-(4-ethoxyphenyl)-6-N-(3-methylbutyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 17017013
4-N-(4-methoxyphenyl)-6-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 27443533
4-N-(3-fluorophenyl)-6-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 41148526

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 17017143) is 4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine is Fc1ccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3-c2ccccc2)cc1.
What is the InChIKey of 4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is GAYTZVSEEIXOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O/c24-17-6-8-18(9-7-17)27-21-20-16-26-31(19-4-2-1-3-5-19)22(20)29-23(28-21)25-10-11-30-12-14-32-15-13-30/h1-9,16H,10-15H2,(H2,25,27,28,29).
What are the key properties of 4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 433.49 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 17017143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).