3-(4-methoxyphenyl)-N-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C19H17N5O — CID 19082673

IUPAC3-(4-methoxyphenyl)-N-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2[nH]nc3ncnc(Nc4ccc(C)cc4)c23)cc1
InChIInChI=1S/C19H17N5O/c1-12-3-7-14(8-4-12)22-18-16-17(23-24-19(16)21-11-20-18)13-5-9-15(25-2)10-6-13/h3-11H,1-2H3,(H2,20,21,22,23,24)
InChIKeyIISRKZQSFZFQIE-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.08
Rot. Bonds4

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

3-(4-methoxyphenyl)-N-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 19082673) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID19082673
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name3-(4-methoxyphenyl)-N-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2[nH]nc3ncnc(Nc4ccc(C)cc4)c23)cc1
InChIInChI=1S/C19H17N5O/c1-12-3-7-14(8-4-12)22-18-16-17(23-24-19(16)21-11-20-18)13-5-9-15(25-2)10-6-13/h3-11H,1-2H3,(H2,20,21,22,23,24)
InChIKeyIISRKZQSFZFQIE-UHFFFAOYSA-N
XLogP4.08
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 19082673) is 3-(4-methoxyphenyl)-N-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(-c2[nH]nc3ncnc(Nc4ccc(C)cc4)c23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IISRKZQSFZFQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-12-3-7-14(8-4-12)22-18-16-17(23-24-19(16)21-11-20-18)13-5-9-15(25-2)10-6-13/h3-11H,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 3-(4-methoxyphenyl)-N-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-(4-methoxyphenyl)-N-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 331.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 19082673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).