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

C20H20Cl2N6O2 — CID 137025659

IUPAC3-[5-[(4-chlorophenyl)methyl]-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(Cc4ccc(Cl)cc4)o3)c2[nH]1
InChIInChI=1S/C20H19ClN6O2.ClH/c21-14-3-1-12(2-4-14)9-18-25-26-20(29-18)15-11-23-27-16(10-17(28)24-19(15)27)13-5-7-22-8-6-13;/h1-4,10-11,13,22H,5-9H2,(H,24,28);1H
InChIKeyLZEWWGFHOFVBKF-UHFFFAOYSA-N
MW447.33 g/mol
LogP3.21
Rot. Bonds4

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

3-[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (PubChem CID 137025659) has the molecular formula C20H20Cl2N6O2 and a molecular weight of 447.33 g/mol. Its IUPAC name is 3-[5-[(4-chlorophenyl)methyl]-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)methyl]-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
PubChem CID137025659
Molecular FormulaC20H20Cl2N6O2
Molecular Weight447.33 g/mol
Exact Mass446.10
IUPAC Name3-[5-[(4-chlorophenyl)methyl]-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(Cc4ccc(Cl)cc4)o3)c2[nH]1
InChIInChI=1S/C20H19ClN6O2.ClH/c21-14-3-1-12(2-4-14)9-18-25-26-20(29-18)15-11-23-27-16(10-17(28)24-19(15)27)13-5-7-22-8-6-13;/h1-4,10-11,13,22H,5-9H2,(H,24,28);1H
InChIKeyLZEWWGFHOFVBKF-UHFFFAOYSA-N
XLogP3.21
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.33
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251829
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-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018500
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
tert-butyl 4-[5-oxo-3-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137025963
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-[5-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018723
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-[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
3-[3-[2,4-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137026282

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-chlorophenyl)methyl]-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)methyl]-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (CID 137025659) is 3-[5-[(4-chlorophenyl)methyl]-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)methyl]-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)methyl]-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(Cc4ccc(Cl)cc4)o3)c2[nH]1.
What is the InChIKey of 3-[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The InChIKey is LZEWWGFHOFVBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2.ClH/c21-14-3-1-12(2-4-14)9-18-25-26-20(29-18)15-11-23-27-16(10-17(28)24-19(15)27)13-5-7-22-8-6-13;/h1-4,10-11,13,22H,5-9H2,(H,24,28);1H.
What are the key properties of 3-[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
3-[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride has a molecular weight of 447.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 137025659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).