1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C16H12N6 — CID 11995962

IUPAC1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2-c1cccc(-c2ccncc2)c1
InChIInChI=1S/C16H12N6/c17-15-14-9-21-22(16(14)20-10-19-15)13-3-1-2-12(8-13)11-4-6-18-7-5-11/h1-10H,(H2,17,19,20)
InChIKeyDWNZKNPFZISFSL-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.46
Rot. Bonds2

About 1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 11995962) has the molecular formula C16H12N6 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID11995962
Molecular FormulaC16H12N6
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC Name1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2-c1cccc(-c2ccncc2)c1
InChIInChI=1S/C16H12N6/c17-15-14-9-21-22(16(14)20-10-19-15)13-3-1-2-12(8-13)11-4-6-18-7-5-11/h1-10H,(H2,17,19,20)
InChIKeyDWNZKNPFZISFSL-UHFFFAOYSA-N
XLogP2.46
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82192765
1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 157410004
1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 11996253
1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82192766
1-(1H-1,2,4-triazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 68823163
1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 55142743
4-chloro-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-d]pyrimidine
CID 71377348
1-(4-chlorophenyl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24938561
1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017215
6-chloro-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82460127
1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]pentan-2-one;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 158710437
N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide
CID 11996710

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 11995962) is 1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1cnn2-c1cccc(-c2ccncc2)c1.
What is the InChIKey of 1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DWNZKNPFZISFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6/c17-15-14-9-21-22(16(14)20-10-19-15)13-3-1-2-12(8-13)11-4-6-18-7-5-11/h1-10H,(H2,17,19,20).
What are the key properties of 1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 288.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11995962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).