1-(2-ethylphenyl)-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine

C23H19N5 — CID 86766175

IUPAC1-(2-ethylphenyl)-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1ccccc1-n1nc(-c2cccc3ccccc23)c2c(N)ncnc21
InChIInChI=1S/C23H19N5/c1-2-15-8-4-6-13-19(15)28-23-20(22(24)25-14-26-23)21(27-28)18-12-7-10-16-9-3-5-11-17(16)18/h3-14H,2H2,1H3,(H2,24,25,26)
InChIKeyBGYSWVSWYVKGNS-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.78
Rot. Bonds3

About 1-(2-ethylphenyl)-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-(2-ethylphenyl)-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 86766175) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID86766175
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC Name1-(2-ethylphenyl)-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1ccccc1-n1nc(-c2cccc3ccccc23)c2c(N)ncnc21
InChIInChI=1S/C23H19N5/c1-2-15-8-4-6-13-19(15)28-23-20(22(24)25-14-26-23)21(27-28)18-12-7-10-16-9-3-5-11-17(16)18/h3-14H,2H2,1H3,(H2,24,25,26)
InChIKeyBGYSWVSWYVKGNS-UHFFFAOYSA-N
XLogP4.78
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(2-ethylphenyl)-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 86766175) is 1-(2-ethylphenyl)-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(2-ethylphenyl)-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(2-ethylphenyl)-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine is CCc1ccccc1-n1nc(-c2cccc3ccccc23)c2c(N)ncnc21.
What is the InChIKey of 1-(2-ethylphenyl)-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BGYSWVSWYVKGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5/c1-2-15-8-4-6-13-19(15)28-23-20(22(24)25-14-26-23)21(27-28)18-12-7-10-16-9-3-5-11-17(16)18/h3-14H,2H2,1H3,(H2,24,25,26).
What are the key properties of 1-(2-ethylphenyl)-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-(2-ethylphenyl)-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 365.44 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 86766175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).