1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C17H15N5OS — CID 866553

IUPAC1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-n2ncc3c(NCc4cccs4)ncnc32)cc1
InChIInChI=1S/C17H15N5OS/c1-23-13-6-4-12(5-7-13)22-17-15(10-21-22)16(19-11-20-17)18-9-14-3-2-8-24-14/h2-8,10-11H,9H2,1H3,(H,18,19,20)
InChIKeyDMYXIZSOQXIAQU-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.50
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 866553) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID866553
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-n2ncc3c(NCc4cccs4)ncnc32)cc1
InChIInChI=1S/C17H15N5OS/c1-23-13-6-4-12(5-7-13)22-17-15(10-21-22)16(19-11-20-17)18-9-14-3-2-8-24-14/h2-8,10-11H,9H2,1H3,(H,18,19,20)
InChIKeyDMYXIZSOQXIAQU-UHFFFAOYSA-N
XLogP3.50
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 866553) is 1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(-n2ncc3c(NCc4cccs4)ncnc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DMYXIZSOQXIAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-23-13-6-4-12(5-7-13)22-17-15(10-21-22)16(19-11-20-17)18-9-14-3-2-8-24-14/h2-8,10-11H,9H2,1H3,(H,18,19,20).
What are the key properties of 1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 337.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 866553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).