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

C15H19N7 — CID 71226084

IUPAC4-imidazol-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
SMILESc1cn(-c2ncnc3c2cnn3CCN2CCCCC2)cn1
InChIInChI=1S/C15H19N7/c1-2-5-20(6-3-1)8-9-22-15-13(10-19-22)14(17-11-18-15)21-7-4-16-12-21/h4,7,10-12H,1-3,5-6,8-9H2
InChIKeyJBHAFGOUUNCIMT-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.50
Rot. Bonds4

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

4-imidazol-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 71226084) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
PubChem CID71226084
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name4-imidazol-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
SMILESc1cn(-c2ncnc3c2cnn3CCN2CCCCC2)cn1
InChIInChI=1S/C15H19N7/c1-2-5-20(6-3-1)8-9-22-15-13(10-19-22)14(17-11-18-15)21-7-4-16-12-21/h4,7,10-12H,1-3,5-6,8-9H2
InChIKeyJBHAFGOUUNCIMT-UHFFFAOYSA-N
XLogP1.50
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-imidazol-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine (CID 71226084) is 4-imidazol-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-imidazol-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine is c1cn(-c2ncnc3c2cnn3CCN2CCCCC2)cn1.
What is the InChIKey of 4-imidazol-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is JBHAFGOUUNCIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7/c1-2-5-20(6-3-1)8-9-22-15-13(10-19-22)14(17-11-18-15)21-7-4-16-12-21/h4,7,10-12H,1-3,5-6,8-9H2.
What are the key properties of 4-imidazol-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
4-imidazol-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 297.37 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 71226084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).