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

C21H19F3N6O3 — CID 137018580

IUPAC2-methyl-7-piperidin-4-yl-3-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nc(-c2ccccc2OC(F)(F)F)no1
InChIInChI=1S/C21H19F3N6O3/c1-11-17(19-26-16(31)10-14(30(19)28-11)12-6-8-25-9-7-12)20-27-18(29-33-20)13-4-2-3-5-15(13)32-21(22,23)24/h2-5,10,12,25H,6-9H2,1H3,(H,26,31)
InChIKeyXIEYHBBOFWZPJR-UHFFFAOYSA-N
MW460.42 g/mol
LogP3.41
Rot. Bonds4

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

2-methyl-7-piperidin-4-yl-3-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018580) has the molecular formula C21H19F3N6O3 and a molecular weight of 460.42 g/mol. Its IUPAC name is 2-methyl-7-piperidin-4-yl-3-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-7-piperidin-4-yl-3-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018580
Molecular FormulaC21H19F3N6O3
Molecular Weight460.42 g/mol
Exact Mass460.15
IUPAC Name2-methyl-7-piperidin-4-yl-3-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nc(-c2ccccc2OC(F)(F)F)no1
InChIInChI=1S/C21H19F3N6O3/c1-11-17(19-26-16(31)10-14(30(19)28-11)12-6-8-25-9-7-12)20-27-18(29-33-20)13-4-2-3-5-15(13)32-21(22,23)24/h2-5,10,12,25H,6-9H2,1H3,(H,26,31)
InChIKeyXIEYHBBOFWZPJR-UHFFFAOYSA-N
XLogP3.41
TPSA110.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-methyl-7-piperidin-4-yl-3-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one with MolForge

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Related Compounds

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251712
3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018717
2-methyl-3-[3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137025757
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-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 139326948
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
10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;ethane
CID 144841590
[3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-2-yl] acetate
CID 140938507
3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251754
10-(4-methylphenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 147017418
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-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018459

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-piperidin-4-yl-3-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-7-piperidin-4-yl-3-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018580) is 2-methyl-7-piperidin-4-yl-3-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-7-piperidin-4-yl-3-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-7-piperidin-4-yl-3-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nc(-c2ccccc2OC(F)(F)F)no1.
What is the InChIKey of 2-methyl-7-piperidin-4-yl-3-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is XIEYHBBOFWZPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O3/c1-11-17(19-26-16(31)10-14(30(19)28-11)12-6-8-25-9-7-12)20-27-18(29-33-20)13-4-2-3-5-15(13)32-21(22,23)24/h2-5,10,12,25H,6-9H2,1H3,(H,26,31).
What are the key properties of 2-methyl-7-piperidin-4-yl-3-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
2-methyl-7-piperidin-4-yl-3-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 460.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-piperidin-4-yl-3-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).