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

C18H14ClN5O — CID 1069938

IUPACN-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-n2ncc3c(Nc4ccc(Cl)cc4)ncnc32)cc1
InChIInChI=1S/C18H14ClN5O/c1-25-15-8-6-14(7-9-15)24-18-16(10-22-24)17(20-11-21-18)23-13-4-2-12(19)3-5-13/h2-11H,1H3,(H,20,21,23)
InChIKeySTDFKGNXIFLJHW-UHFFFAOYSA-N
MW351.80 g/mol
LogP4.22
Rot. Bonds4

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

N-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 1069938) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID1069938
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC NameN-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-n2ncc3c(Nc4ccc(Cl)cc4)ncnc32)cc1
InChIInChI=1S/C18H14ClN5O/c1-25-15-8-6-14(7-9-15)24-18-16(10-22-24)17(20-11-21-18)23-13-4-2-12(19)3-5-13/h2-11H,1H3,(H,20,21,23)
InChIKeySTDFKGNXIFLJHW-UHFFFAOYSA-N
XLogP4.22
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 1069938) is N-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(-n2ncc3c(Nc4ccc(Cl)cc4)ncnc32)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is STDFKGNXIFLJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c1-25-15-8-6-14(7-9-15)24-18-16(10-22-24)17(20-11-21-18)23-13-4-2-12(19)3-5-13/h2-11H,1H3,(H,20,21,23).
What are the key properties of N-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 351.80 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 1069938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).