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

C17H14ClN5S — CID 51699865

IUPAC1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESClc1ccccc1-n1ncc2c(NCCc3cccs3)ncnc21
InChIInChI=1S/C17H14ClN5S/c18-14-5-1-2-6-15(14)23-17-13(10-22-23)16(20-11-21-17)19-8-7-12-4-3-9-24-12/h1-6,9-11H,7-8H2,(H,19,20,21)
InChIKeyYRGDONRMVNUPGY-UHFFFAOYSA-N
MW355.85 g/mol
LogP4.18
Rot. Bonds5

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

1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 51699865) has the molecular formula C17H14ClN5S and a molecular weight of 355.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID51699865
Molecular FormulaC17H14ClN5S
Molecular Weight355.85 g/mol
Exact Mass355.07
IUPAC Name1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESClc1ccccc1-n1ncc2c(NCCc3cccs3)ncnc21
InChIInChI=1S/C17H14ClN5S/c18-14-5-1-2-6-15(14)23-17-13(10-22-23)16(20-11-21-17)19-8-7-12-4-3-9-24-12/h1-6,9-11H,7-8H2,(H,19,20,21)
InChIKeyYRGDONRMVNUPGY-UHFFFAOYSA-N
XLogP4.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 51699865) is 1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Clc1ccccc1-n1ncc2c(NCCc3cccs3)ncnc21.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YRGDONRMVNUPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5S/c18-14-5-1-2-6-15(14)23-17-13(10-22-23)16(20-11-21-17)19-8-7-12-4-3-9-24-12/h1-6,9-11H,7-8H2,(H,19,20,21).
What are the key properties of 1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 355.85 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 51699865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).