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

C19H18Cl2N6O2 — CID 137251829

IUPAC3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCl.O=c1cc(C2CCNCC2)n2ncc(-c3nnc(-c4ccc(Cl)cc4)o3)c2[nH]1
InChIInChI=1S/C19H17ClN6O2.ClH/c20-13-3-1-12(2-4-13)18-24-25-19(28-18)14-10-22-26-15(9-16(27)23-17(14)26)11-5-7-21-8-6-11;/h1-4,9-11,21H,5-8H2,(H,23,27);1H
InChIKeyKCFSUTRBBXAAHS-UHFFFAOYSA-N
MW433.30 g/mol
LogP3.28
Rot. Bonds3

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

3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (PubChem CID 137251829) has the molecular formula C19H18Cl2N6O2 and a molecular weight of 433.30 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
PubChem CID137251829
Molecular FormulaC19H18Cl2N6O2
Molecular Weight433.30 g/mol
Exact Mass432.09
IUPAC Name3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCl.O=c1cc(C2CCNCC2)n2ncc(-c3nnc(-c4ccc(Cl)cc4)o3)c2[nH]1
InChIInChI=1S/C19H17ClN6O2.ClH/c20-13-3-1-12(2-4-13)18-24-25-19(28-18)14-10-22-26-15(9-16(27)23-17(14)26)11-5-7-21-8-6-11;/h1-4,9-11,21H,5-8H2,(H,23,27);1H
InChIKeyKCFSUTRBBXAAHS-UHFFFAOYSA-N
XLogP3.28
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride with MolForge

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Related Compounds

7-piperidin-4-yl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018500
3-[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137025659
3-[5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137025960
3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018324
7-piperidin-4-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251764
3-[3-(3-chloro-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018545
3-[5-[[4-(difluoromethoxy)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 139326910
3-(3-phenyl-1,2-oxazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251873
3-[3-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137026096
3-(4-cyclopropyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251827
methyl 4-[5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-3-yl]benzoate
CID 137018511
3-[3-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251670

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (CID 137251829) is 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is Cl.O=c1cc(C2CCNCC2)n2ncc(-c3nnc(-c4ccc(Cl)cc4)o3)c2[nH]1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The InChIKey is KCFSUTRBBXAAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O2.ClH/c20-13-3-1-12(2-4-13)18-24-25-19(28-18)14-10-22-26-15(9-16(27)23-17(14)26)11-5-7-21-8-6-11;/h1-4,9-11,21H,5-8H2,(H,23,27);1H.
What are the key properties of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride has a molecular weight of 433.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 137251829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).