6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C19H25N7O — CID 50795108

IUPAC6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCN1CCN(c2nc(Nc3ccc(OC)cc3)c3cnn(C)c3n2)CC1
InChIInChI=1S/C19H25N7O/c1-4-25-9-11-26(12-10-25)19-22-17(16-13-20-24(2)18(16)23-19)21-14-5-7-15(27-3)8-6-14/h5-8,13H,4,9-12H2,1-3H3,(H,21,22,23)
InChIKeyKNQVRZOUKXYZSO-UHFFFAOYSA-N
MW367.46 g/mol
LogP2.26
Rot. Bonds5

About 6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 50795108) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID50795108
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCN1CCN(c2nc(Nc3ccc(OC)cc3)c3cnn(C)c3n2)CC1
InChIInChI=1S/C19H25N7O/c1-4-25-9-11-26(12-10-25)19-22-17(16-13-20-24(2)18(16)23-19)21-14-5-7-15(27-3)8-6-14/h5-8,13H,4,9-12H2,1-3H3,(H,21,22,23)
InChIKeyKNQVRZOUKXYZSO-UHFFFAOYSA-N
XLogP2.26
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(3-methoxyphenyl)-1-methyl-6-(4-propylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 50795196
N-(3,5-dimethoxyphenyl)-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 46940706
2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine
CID 16820881
6-(4-cyclohexylpiperazin-1-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795201
N-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17016765
N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795273
N-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17016776
6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 43845722
4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 53039070
1-methyl-N-phenyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 46345343
1-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795322
2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine
CID 71690658

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 50795108) is 6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCN1CCN(c2nc(Nc3ccc(OC)cc3)c3cnn(C)c3n2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KNQVRZOUKXYZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-4-25-9-11-26(12-10-25)19-22-17(16-13-20-24(2)18(16)23-19)21-14-5-7-15(27-3)8-6-14/h5-8,13H,4,9-12H2,1-3H3,(H,21,22,23).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 367.46 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 50795108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).