4-[1-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]morpholine

C15H20ClN5O — CID 134793043

IUPAC4-[1-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]morpholine
SMILESClc1cc(N2CCC(N3CCOCC3)CC2)n2nccc2n1
InChIInChI=1S/C15H20ClN5O/c16-13-11-15(21-14(18-13)1-4-17-21)20-5-2-12(3-6-20)19-7-9-22-10-8-19/h1,4,11-12H,2-3,5-10H2
InChIKeyBCILXMSBXDKWHW-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.68
Rot. Bonds2

About 4-[1-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]morpholine

4-[1-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]morpholine (PubChem CID 134793043) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is 4-[1-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]morpholine
PubChem CID134793043
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name4-[1-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]morpholine
SMILESClc1cc(N2CCC(N3CCOCC3)CC2)n2nccc2n1
InChIInChI=1S/C15H20ClN5O/c16-13-11-15(21-14(18-13)1-4-17-21)20-5-2-12(3-6-20)19-7-9-22-10-8-19/h1,4,11-12H,2-3,5-10H2
InChIKeyBCILXMSBXDKWHW-UHFFFAOYSA-N
XLogP1.68
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]morpholine (CID 134793043) is 4-[1-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]morpholine is Clc1cc(N2CCC(N3CCOCC3)CC2)n2nccc2n1.
What is the InChIKey of 4-[1-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]morpholine?
The InChIKey is BCILXMSBXDKWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O/c16-13-11-15(21-14(18-13)1-4-17-21)20-5-2-12(3-6-20)19-7-9-22-10-8-19/h1,4,11-12H,2-3,5-10H2.
What are the key properties of 4-[1-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]morpholine?
4-[1-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]morpholine has a molecular weight of 321.81 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]morpholine is sourced from PubChem (CID 134793043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).