3-(3-phenyl-1,2-oxazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride

C20H20ClN5O2 — CID 137251873

IUPAC3-(3-phenyl-1,2-oxazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCl.O=c1cc(C2CCNCC2)n2ncc(-c3cc(-c4ccccc4)no3)c2[nH]1
InChIInChI=1S/C20H19N5O2.ClH/c26-19-11-17(14-6-8-21-9-7-14)25-20(23-19)15(12-22-25)18-10-16(24-27-18)13-4-2-1-3-5-13;/h1-5,10-12,14,21H,6-9H2,(H,23,26);1H
InChIKeyQXPHUPMTCAAMRP-UHFFFAOYSA-N
MW397.87 g/mol
LogP3.23
Rot. Bonds3

About 3-(3-phenyl-1,2-oxazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride

3-(3-phenyl-1,2-oxazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (PubChem CID 137251873) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is 3-(3-phenyl-1,2-oxazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name3-(3-phenyl-1,2-oxazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
PubChem CID137251873
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name3-(3-phenyl-1,2-oxazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCl.O=c1cc(C2CCNCC2)n2ncc(-c3cc(-c4ccccc4)no3)c2[nH]1
InChIInChI=1S/C20H19N5O2.ClH/c26-19-11-17(14-6-8-21-9-7-14)25-20(23-19)15(12-22-25)18-10-16(24-27-18)13-4-2-1-3-5-13;/h1-5,10-12,14,21H,6-9H2,(H,23,26);1H
InChIKeyQXPHUPMTCAAMRP-UHFFFAOYSA-N
XLogP3.23
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1,2-oxazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 3-(3-phenyl-1,2-oxazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (CID 137251873) is 3-(3-phenyl-1,2-oxazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 3-(3-phenyl-1,2-oxazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 3-(3-phenyl-1,2-oxazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is Cl.O=c1cc(C2CCNCC2)n2ncc(-c3cc(-c4ccccc4)no3)c2[nH]1.
What is the InChIKey of 3-(3-phenyl-1,2-oxazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The InChIKey is QXPHUPMTCAAMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2.ClH/c26-19-11-17(14-6-8-21-9-7-14)25-20(23-19)15(12-22-25)18-10-16(24-27-18)13-4-2-1-3-5-13;/h1-5,10-12,14,21H,6-9H2,(H,23,26);1H.
What are the key properties of 3-(3-phenyl-1,2-oxazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
3-(3-phenyl-1,2-oxazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride has a molecular weight of 397.87 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1,2-oxazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 137251873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).