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

C29H27FN6 — CID 17017178

IUPAC6-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2nc(N3CCC(Cc4ccccc4)CC3)nc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C29H27FN6/c30-23-11-13-24(14-12-23)32-27-26-20-31-36(25-9-5-2-6-10-25)28(26)34-29(33-27)35-17-15-22(16-18-35)19-21-7-3-1-4-8-21/h1-14,20,22H,15-19H2,(H,32,33,34)
InChIKeySWKXHKPSUSPQQT-UHFFFAOYSA-N
MW478.58 g/mol
LogP6.16
Rot. Bonds6

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

6-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 17017178) has the molecular formula C29H27FN6 and a molecular weight of 478.58 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID17017178
Molecular FormulaC29H27FN6
Molecular Weight478.58 g/mol
Exact Mass478.23
IUPAC Name6-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2nc(N3CCC(Cc4ccccc4)CC3)nc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C29H27FN6/c30-23-11-13-24(14-12-23)32-27-26-20-31-36(25-9-5-2-6-10-25)28(26)34-29(33-27)35-17-15-22(16-18-35)19-21-7-3-1-4-8-21/h1-14,20,22H,15-19H2,(H,32,33,34)
InChIKeySWKXHKPSUSPQQT-UHFFFAOYSA-N
XLogP6.16
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.58
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)-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

6-(4-benzylpiperidin-1-yl)-N-(3-chlorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017203
N-(4-fluorophenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017174
N-(4-methylphenyl)-1-phenyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17016838
4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine
CID 7205389
N-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17016765
N-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17016776
6-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 20917053
4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 17017143
N-(3,4-dimethylphenyl)-6-(3-methylpiperidin-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17016957
N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017200
1-[1-(4-fluorophenyl)-4-(2-hydroxyethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperidine-4-carboxamide
CID 45497490
6-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 11840819

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 17017178) is 6-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is Fc1ccc(Nc2nc(N3CCC(Cc4ccccc4)CC3)nc3c2cnn3-c2ccccc2)cc1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SWKXHKPSUSPQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN6/c30-23-11-13-24(14-12-23)32-27-26-20-31-36(25-9-5-2-6-10-25)28(26)34-29(33-27)35-17-15-22(16-18-35)19-21-7-3-1-4-8-21/h1-14,20,22H,15-19H2,(H,32,33,34).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
6-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 478.58 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 17017178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).