5-chloro-7-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine

C16H22ClN5 — CID 134795142

IUPAC5-chloro-7-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cc(N2CCC(N3CCCCC3)CC2)n2nccc2n1
InChIInChI=1S/C16H22ClN5/c17-14-12-16(22-15(19-14)4-7-18-22)21-10-5-13(6-11-21)20-8-2-1-3-9-20/h4,7,12-13H,1-3,5-6,8-11H2
InChIKeyREKPWZVYNDFRAZ-UHFFFAOYSA-N
MW319.84 g/mol
LogP2.84
Rot. Bonds2

About 5-chloro-7-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine

5-chloro-7-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 134795142) has the molecular formula C16H22ClN5 and a molecular weight of 319.84 g/mol. Its IUPAC name is 5-chloro-7-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID134795142
Molecular FormulaC16H22ClN5
Molecular Weight319.84 g/mol
Exact Mass319.16
IUPAC Name5-chloro-7-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cc(N2CCC(N3CCCCC3)CC2)n2nccc2n1
InChIInChI=1S/C16H22ClN5/c17-14-12-16(22-15(19-14)4-7-18-22)21-10-5-13(6-11-21)20-8-2-1-3-9-20/h4,7,12-13H,1-3,5-6,8-11H2
InChIKeyREKPWZVYNDFRAZ-UHFFFAOYSA-N
XLogP2.84
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-7-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine (CID 134795142) is 5-chloro-7-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-7-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-7-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine is Clc1cc(N2CCC(N3CCCCC3)CC2)n2nccc2n1.
What is the InChIKey of 5-chloro-7-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is REKPWZVYNDFRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5/c17-14-12-16(22-15(19-14)4-7-18-22)21-10-5-13(6-11-21)20-8-2-1-3-9-20/h4,7,12-13H,1-3,5-6,8-11H2.
What are the key properties of 5-chloro-7-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
5-chloro-7-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 319.84 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 134795142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).