4-(5-chlorothiophen-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine

C16H18ClN5S — CID 74767207

IUPAC4-(5-chlorothiophen-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
SMILESClc1ccc(-c2ncnc3c2cnn3CCN2CCCCC2)s1
InChIInChI=1S/C16H18ClN5S/c17-14-5-4-13(23-14)15-12-10-20-22(16(12)19-11-18-15)9-8-21-6-2-1-3-7-21/h4-5,10-11H,1-3,6-9H2
InChIKeyIRDIWCWGLWQNKK-UHFFFAOYSA-N
MW347.88 g/mol
LogP3.69
Rot. Bonds4

About 4-(5-chlorothiophen-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine

4-(5-chlorothiophen-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 74767207) has the molecular formula C16H18ClN5S and a molecular weight of 347.88 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
PubChem CID74767207
Molecular FormulaC16H18ClN5S
Molecular Weight347.88 g/mol
Exact Mass347.10
IUPAC Name4-(5-chlorothiophen-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
SMILESClc1ccc(-c2ncnc3c2cnn3CCN2CCCCC2)s1
InChIInChI=1S/C16H18ClN5S/c17-14-5-4-13(23-14)15-12-10-20-22(16(12)19-11-18-15)9-8-21-6-2-1-3-7-21/h4-5,10-11H,1-3,6-9H2
InChIKeyIRDIWCWGLWQNKK-UHFFFAOYSA-N
XLogP3.69
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.88
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine (CID 74767207) is 4-(5-chlorothiophen-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine is Clc1ccc(-c2ncnc3c2cnn3CCN2CCCCC2)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is IRDIWCWGLWQNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5S/c17-14-5-4-13(23-14)15-12-10-20-22(16(12)19-11-18-15)9-8-21-6-2-1-3-7-21/h4-5,10-11H,1-3,6-9H2.
What are the key properties of 4-(5-chlorothiophen-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
4-(5-chlorothiophen-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 347.88 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 74767207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).