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

C19H16ClN5O2 — CID 4531060

IUPACN-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-n2ncc3c(Nc4ccc(OC)c(Cl)c4)ncnc32)cc1
InChIInChI=1S/C19H16ClN5O2/c1-26-14-6-4-13(5-7-14)25-19-15(10-23-25)18(21-11-22-19)24-12-3-8-17(27-2)16(20)9-12/h3-11H,1-2H3,(H,21,22,24)
InChIKeyJUHSCKFRDYSOPZ-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.23
Rot. Bonds5

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

N-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 4531060) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID4531060
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-n2ncc3c(Nc4ccc(OC)c(Cl)c4)ncnc32)cc1
InChIInChI=1S/C19H16ClN5O2/c1-26-14-6-4-13(5-7-14)25-19-15(10-23-25)18(21-11-22-19)24-12-3-8-17(27-2)16(20)9-12/h3-11H,1-2H3,(H,21,22,24)
InChIKeyJUHSCKFRDYSOPZ-UHFFFAOYSA-N
XLogP4.23
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 4531060) is N-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(-n2ncc3c(Nc4ccc(OC)c(Cl)c4)ncnc32)cc1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JUHSCKFRDYSOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c1-26-14-6-4-13(5-7-14)25-19-15(10-23-25)18(21-11-22-19)24-12-3-8-17(27-2)16(20)9-12/h3-11H,1-2H3,(H,21,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 381.82 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 4531060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).