4-(4-methoxyphenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine

C18H15N5O — CID 90670743

IUPAC4-(4-methoxyphenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCOc1ccc(-c2nc(-c3ccccc3)nc3n[nH]c(N)c23)cc1
InChIInChI=1S/C18H15N5O/c1-24-13-9-7-11(8-10-13)15-14-16(19)22-23-18(14)21-17(20-15)12-5-3-2-4-6-12/h2-10H,1H3,(H3,19,20,21,22,23)
InChIKeyFJQIOXJSJBQUPK-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.28
Rot. Bonds3

About 4-(4-methoxyphenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine

4-(4-methoxyphenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 90670743) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID90670743
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name4-(4-methoxyphenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCOc1ccc(-c2nc(-c3ccccc3)nc3n[nH]c(N)c23)cc1
InChIInChI=1S/C18H15N5O/c1-24-13-9-7-11(8-10-13)15-14-16(19)22-23-18(14)21-17(20-15)12-5-3-2-4-6-12/h2-10H,1H3,(H3,19,20,21,22,23)
InChIKeyFJQIOXJSJBQUPK-UHFFFAOYSA-N
XLogP3.28
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 4-(4-methoxyphenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine (CID 90670743) is 4-(4-methoxyphenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine is COc1ccc(-c2nc(-c3ccccc3)nc3n[nH]c(N)c23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is FJQIOXJSJBQUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-24-13-9-7-11(8-10-13)15-14-16(19)22-23-18(14)21-17(20-15)12-5-3-2-4-6-12/h2-10H,1H3,(H3,19,20,21,22,23).
What are the key properties of 4-(4-methoxyphenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
4-(4-methoxyphenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 317.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 90670743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).