3-naphthalen-1-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C21H15N5 — CID 86766178

IUPAC3-naphthalen-1-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cccc3ccccc13)nn2-c1ccccc1
InChIInChI=1S/C21H15N5/c22-20-18-19(17-12-6-8-14-7-4-5-11-16(14)17)25-26(21(18)24-13-23-20)15-9-2-1-3-10-15/h1-13H,(H2,22,23,24)
InChIKeyWBQNNMYOSBMSBZ-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.22
Rot. Bonds2

About 3-naphthalen-1-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

3-naphthalen-1-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 86766178) has the molecular formula C21H15N5 and a molecular weight of 337.39 g/mol. Its IUPAC name is 3-naphthalen-1-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-naphthalen-1-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID86766178
Molecular FormulaC21H15N5
Molecular Weight337.39 g/mol
Exact Mass337.13
IUPAC Name3-naphthalen-1-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cccc3ccccc13)nn2-c1ccccc1
InChIInChI=1S/C21H15N5/c22-20-18-19(17-12-6-8-14-7-4-5-11-16(14)17)25-26(21(18)24-13-23-20)15-9-2-1-3-10-15/h1-13H,(H2,22,23,24)
InChIKeyWBQNNMYOSBMSBZ-UHFFFAOYSA-N
XLogP4.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-
CID 97338
5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 660996
3MB-PP1
CID 24865390
N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 24882195
1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905144
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
1-Tert-butyl-3-naphthalen-1-ylpyrazolo(3,4-d)pyrimidin-4-amine
CID 4877
N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 777184
1-(1,1-Dimethylethyl)-3-(1-naphthalenylmethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 5154691

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-naphthalen-1-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 86766178) is 3-naphthalen-1-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-naphthalen-1-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-naphthalen-1-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1cccc3ccccc13)nn2-c1ccccc1.
What is the InChIKey of 3-naphthalen-1-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WBQNNMYOSBMSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5/c22-20-18-19(17-12-6-8-14-7-4-5-11-16(14)17)25-26(21(18)24-13-23-20)15-9-2-1-3-10-15/h1-13H,(H2,22,23,24).
What are the key properties of 3-naphthalen-1-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
3-naphthalen-1-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 337.39 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 86766178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).