3-(6-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

C21H23N5O — CID 77050686

IUPAC3-(6-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc2cc(-c3nn(CC(C)C)c4ncnc(N)c34)ccc2c1
InChIInChI=1S/C21H23N5O/c1-4-27-17-8-7-14-9-16(6-5-15(14)10-17)19-18-20(22)23-12-24-21(18)26(25-19)11-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H2,22,23,24)
InChIKeyCAEIFJPLTYUEAA-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.28
Rot. Bonds5

About 3-(6-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

3-(6-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 77050686) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-(6-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(6-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID77050686
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name3-(6-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc2cc(-c3nn(CC(C)C)c4ncnc(N)c34)ccc2c1
InChIInChI=1S/C21H23N5O/c1-4-27-17-8-7-14-9-16(6-5-15(14)10-17)19-18-20(22)23-12-24-21(18)26(25-19)11-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H2,22,23,24)
InChIKeyCAEIFJPLTYUEAA-UHFFFAOYSA-N
XLogP4.28
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-ethoxynaphthalen-2-yl)-1-((1-methylpiperidin-4-yl)methyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56963908
Bms-561388
CID 9908904
Ibrutinib N-desacryloyl impurity
CID 58223272
4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
1H-Pyrazolo[3,4-d]pyriMidin-4-aMine, 1-[trans-4-(4-Methyl-1-piperazinyl)cyclohexyl]-3-(4-phenoxyphenyl)-
CID 6539953
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
3-(6-Ethoxynaphthalen-2-Yl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 53346432
3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 56835771
Bkidc-1553
CID 122442455
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905153
3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 22346757
Pci 29732
CID 22347110

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(6-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 77050686) is 3-(6-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(6-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(6-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCOc1ccc2cc(-c3nn(CC(C)C)c4ncnc(N)c34)ccc2c1.
What is the InChIKey of 3-(6-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CAEIFJPLTYUEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-4-27-17-8-7-14-9-16(6-5-15(14)10-17)19-18-20(22)23-12-24-21(18)26(25-19)11-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H2,22,23,24).
What are the key properties of 3-(6-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-(6-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 361.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 77050686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).