N-(4-iodophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C17H12IN5 — CID 1390944

IUPACN-(4-iodophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESIc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C17H12IN5/c18-12-6-8-13(9-7-12)22-16-15-10-21-23(17(15)20-11-19-16)14-4-2-1-3-5-14/h1-11H,(H,19,20,22)
InChIKeyLXZKPMUEBOQOPH-UHFFFAOYSA-N
MW413.22 g/mol
LogP4.16
Rot. Bonds3

About N-(4-iodophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-(4-iodophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 1390944) has the molecular formula C17H12IN5 and a molecular weight of 413.22 g/mol. Its IUPAC name is N-(4-iodophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-iodophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID1390944
Molecular FormulaC17H12IN5
Molecular Weight413.22 g/mol
Exact Mass413.01
IUPAC NameN-(4-iodophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESIc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C17H12IN5/c18-12-6-8-13(9-7-12)22-16-15-10-21-23(17(15)20-11-19-16)14-4-2-1-3-5-14/h1-11H,(H,19,20,22)
InChIKeyLXZKPMUEBOQOPH-UHFFFAOYSA-N
XLogP4.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.22
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 875439
N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 993401
1-(4-methoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1069951
N-(3,4-dimethylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 7188731
N-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1069938
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
N-[3-(ethoxymethyl)phenyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133285439
1-[2-chloro-2-(4-iodophenyl)ethyl]-N-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 71745496
1-(3-chlorophenyl)-N-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 41476368
1-(3-fluorophenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110434963
4-methyl-6-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1,4-benzoxazin-3-one
CID 133328533
1-(4-chlorophenyl)-N-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 5092933

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-iodophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 1390944) is N-(4-iodophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-iodophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-iodophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is Ic1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1.
What is the InChIKey of N-(4-iodophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LXZKPMUEBOQOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12IN5/c18-12-6-8-13(9-7-12)22-16-15-10-21-23(17(15)20-11-19-16)14-4-2-1-3-5-14/h1-11H,(H,19,20,22).
What are the key properties of N-(4-iodophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(4-iodophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 413.22 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 1390944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).