6-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine

C28H26FN7 — CID 42667834

IUPAC6-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESNc1c2c(-c3ccc(F)cc3)nc(N3CCN(Cc4ccccc4)CC3)nc2nn1-c1ccccc1
InChIInChI=1S/C28H26FN7/c29-22-13-11-21(12-14-22)25-24-26(30)36(23-9-5-2-6-10-23)33-27(24)32-28(31-25)35-17-15-34(16-18-35)19-20-7-3-1-4-8-20/h1-14H,15-19,30H2
InChIKeyXQDLUXUNJWMOOT-UHFFFAOYSA-N
MW479.56 g/mol
LogP4.53
Rot. Bonds5

About 6-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine

6-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42667834) has the molecular formula C28H26FN7 and a molecular weight of 479.56 g/mol. Its IUPAC name is 6-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name6-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42667834
Molecular FormulaC28H26FN7
Molecular Weight479.56 g/mol
Exact Mass479.22
IUPAC Name6-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESNc1c2c(-c3ccc(F)cc3)nc(N3CCN(Cc4ccccc4)CC3)nc2nn1-c1ccccc1
InChIInChI=1S/C28H26FN7/c29-22-13-11-21(12-14-22)25-24-26(30)36(23-9-5-2-6-10-23)33-27(24)32-28(31-25)35-17-15-34(16-18-35)19-20-7-3-1-4-8-20/h1-14H,15-19,30H2
InChIKeyXQDLUXUNJWMOOT-UHFFFAOYSA-N
XLogP4.53
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenyl)-6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42807948
2-(4-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine
CID 42667941
6-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-2-(3-fluorophenyl)-4-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42807984
2-(4-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine
CID 42807950
2,4-bis(4-fluorophenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667944
6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-(4-fluorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667997
6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-(2-fluorophenyl)-2-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42668520
6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-(3-fluorophenyl)-4-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42667976
2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42807963
2-benzyl-6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42808324
4-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42667913
2-(2-chlorophenyl)-4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42667891

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 6-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine (CID 42667834) is 6-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 6-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 6-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine is Nc1c2c(-c3ccc(F)cc3)nc(N3CCN(Cc4ccccc4)CC3)nc2nn1-c1ccccc1.
What is the InChIKey of 6-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is XQDLUXUNJWMOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN7/c29-22-13-11-21(12-14-22)25-24-26(30)36(23-9-5-2-6-10-23)33-27(24)32-28(31-25)35-17-15-34(16-18-35)19-20-7-3-1-4-8-20/h1-14H,15-19,30H2.
What are the key properties of 6-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine?
6-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 479.56 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42667834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).