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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Related Compounds

6-chloro-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82460127
6-chloro-1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82460156
3-[4-amino-1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]benzonitrile
CID 24938750
2-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 13339933
4-(4-tert-butylphenyl)-10-(4-chlorophenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 2005236
4-[5-chloro-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine
CID 30032776
1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726491
4-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine
CID 3736424
1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 11995962
6-chloro-1-(4-chloro-3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82460182
4-bromo-1-(4-chlorophenyl)pyrazolo[3,4-c]pyridine
CID 66727735
4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine
CID 154450711

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).