1-(4-chlorophenyl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C16H11ClN6 — CID 24938561

IUPAC1-(4-chlorophenyl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccncc2)nc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN6/c17-11-1-3-12(4-2-11)23-16-13(9-20-23)14(18)21-15(22-16)10-5-7-19-8-6-10/h1-9H,(H2,18,21,22)
InChIKeyFPFJTCGBLFXXBF-UHFFFAOYSA-N
MW322.76 g/mol
LogP3.11
Rot. Bonds2

About 1-(4-chlorophenyl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-(4-chlorophenyl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24938561) has the molecular formula C16H11ClN6 and a molecular weight of 322.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24938561
Molecular FormulaC16H11ClN6
Molecular Weight322.76 g/mol
Exact Mass322.07
IUPAC Name1-(4-chlorophenyl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccncc2)nc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN6/c17-11-1-3-12(4-2-11)23-16-13(9-20-23)14(18)21-15(22-16)10-5-7-19-8-6-10/h1-9H,(H2,18,21,22)
InChIKeyFPFJTCGBLFXXBF-UHFFFAOYSA-N
XLogP3.11
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-chlorophenyl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24938561) is 1-(4-chlorophenyl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-chlorophenyl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is Nc1nc(-c2ccncc2)nc2c1cnn2-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FPFJTCGBLFXXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN6/c17-11-1-3-12(4-2-11)23-16-13(9-20-23)14(18)21-15(22-16)10-5-7-19-8-6-10/h1-9H,(H2,18,21,22).
What are the key properties of 1-(4-chlorophenyl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-(4-chlorophenyl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 322.76 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24938561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).