6-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C26H30N6 — CID 20917053

IUPAC6-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2nc(N3CCC(Cc4ccccc4)CC3)nc3c2cnn3C)c(C)c1
InChIInChI=1S/C26H30N6/c1-18-9-10-23(19(2)15-18)28-24-22-17-27-31(3)25(22)30-26(29-24)32-13-11-21(12-14-32)16-20-7-5-4-6-8-20/h4-10,15,17,21H,11-14,16H2,1-3H3,(H,28,29,30)
InChIKeyGILXOYVUFRVDBJ-UHFFFAOYSA-N
MW426.57 g/mol
LogP5.18
Rot. Bonds5

About 6-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 20917053) has the molecular formula C26H30N6 and a molecular weight of 426.57 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID20917053
Molecular FormulaC26H30N6
Molecular Weight426.57 g/mol
Exact Mass426.25
IUPAC Name6-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2nc(N3CCC(Cc4ccccc4)CC3)nc3c2cnn3C)c(C)c1
InChIInChI=1S/C26H30N6/c1-18-9-10-23(19(2)15-18)28-24-22-17-27-31(3)25(22)30-26(29-24)32-13-11-21(12-14-32)16-20-7-5-4-6-8-20/h4-10,15,17,21H,11-14,16H2,1-3H3,(H,28,29,30)
InChIKeyGILXOYVUFRVDBJ-UHFFFAOYSA-N
XLogP5.18
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.57
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 7162546
4-N-benzyl-6-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8547026
6-(4-benzylpiperidin-1-yl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine
CID 19139421
N-benzyl-1-methyl-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 8547227
6-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017178
6-(4-benzylpiperidin-1-yl)-N-(3-chlorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017203
1-methyl-N-phenyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 46345343
N-benzyl-1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 8547141
4-N-(2,4-dimethylphenyl)-6-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 27486830
1-methyl-N-[(2-methylphenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 50795453
N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 7162551
6-N-(4-chlorophenyl)-4-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride
CID 163335716

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 20917053) is 6-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(Nc2nc(N3CCC(Cc4ccccc4)CC3)nc3c2cnn3C)c(C)c1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GILXOYVUFRVDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6/c1-18-9-10-23(19(2)15-18)28-24-22-17-27-31(3)25(22)30-26(29-24)32-13-11-21(12-14-32)16-20-7-5-4-6-8-20/h4-10,15,17,21H,11-14,16H2,1-3H3,(H,28,29,30).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 426.57 g/mol, XLogP of 5.18, 5 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-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 20917053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).