N-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C18H13Cl2N5O — CID 1069957

IUPACN-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C18H13Cl2N5O/c1-26-16-7-4-12(8-15(16)20)24-17-14-9-23-25(18(14)22-10-21-17)13-5-2-11(19)3-6-13/h2-10H,1H3,(H,21,22,24)
InChIKeyWZOZHIFJAHRPDL-UHFFFAOYSA-N
MW386.24 g/mol
LogP4.87
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 1069957) has the molecular formula C18H13Cl2N5O and a molecular weight of 386.24 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID1069957
Molecular FormulaC18H13Cl2N5O
Molecular Weight386.24 g/mol
Exact Mass385.05
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C18H13Cl2N5O/c1-26-16-7-4-12(8-15(16)20)24-17-14-9-23-25(18(14)22-10-21-17)13-5-2-11(19)3-6-13/h2-10H,1H3,(H,21,22,24)
InChIKeyWZOZHIFJAHRPDL-UHFFFAOYSA-N
XLogP4.87
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.24
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 1069957) is N-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WZOZHIFJAHRPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N5O/c1-26-16-7-4-12(8-15(16)20)24-17-14-9-23-25(18(14)22-10-21-17)13-5-2-11(19)3-6-13/h2-10H,1H3,(H,21,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 386.24 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 1069957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).