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

C17H21N7 — CID 45481575

IUPAC1-methyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1
InChIInChI=1S/C17H21N7/c1-22-8-10-24(11-9-22)17-20-15(19-13-6-4-3-5-7-13)14-12-18-23(2)16(14)21-17/h3-7,12H,8-11H2,1-2H3,(H,19,20,21)
InChIKeyBWUTXHHNGUYPGE-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.86
Rot. Bonds3

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

1-methyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 45481575) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-methyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID45481575
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name1-methyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1
InChIInChI=1S/C17H21N7/c1-22-8-10-24(11-9-22)17-20-15(19-13-6-4-3-5-7-13)14-12-18-23(2)16(14)21-17/h3-7,12H,8-11H2,1-2H3,(H,19,20,21)
InChIKeyBWUTXHHNGUYPGE-UHFFFAOYSA-N
XLogP1.86
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 45481575) is 1-methyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-4-amine is CN1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1.
What is the InChIKey of 1-methyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BWUTXHHNGUYPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-22-8-10-24(11-9-22)17-20-15(19-13-6-4-3-5-7-13)14-12-18-23(2)16(14)21-17/h3-7,12H,8-11H2,1-2H3,(H,19,20,21).
What are the key properties of 1-methyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 45481575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).