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

C20H28N6O3 — CID 137018446

IUPAC2-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
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nc(CCOC(C)(C)C)no1
InChIInChI=1S/C20H28N6O3/c1-12-17(19-22-15(25-29-19)7-10-28-20(2,3)4)18-23-16(27)11-14(26(18)24-12)13-5-8-21-9-6-13/h11,13,21H,5-10H2,1-4H3,(H,23,27)
InChIKeyWCHZPUAZJXVPDB-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.21
Rot. Bonds5

About 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

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 (PubChem CID 137018446) has the molecular formula C20H28N6O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID137018446
Molecular FormulaC20H28N6O3
Molecular Weight400.48 g/mol
Exact Mass400.22
IUPAC Name2-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
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nc(CCOC(C)(C)C)no1
InChIInChI=1S/C20H28N6O3/c1-12-17(19-22-15(25-29-19)7-10-28-20(2,3)4)18-23-16(27)11-14(26(18)24-12)13-5-8-21-9-6-13/h11,13,21H,5-10H2,1-4H3,(H,23,27)
InChIKeyWCHZPUAZJXVPDB-UHFFFAOYSA-N
XLogP2.21
TPSA110.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

2-methyl-7-piperidin-4-yl-3-(3-propyl-1,2,4-oxadiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 155537049
US10118930, Example 341
CID 137018348
US10118930, Example 105
CID 137018264
US10118930, Example 301
CID 137018329
US10118930, Example 206
CID 137018458
US10118930, Example 338
CID 137018533
US10118930, Example 297
CID 137018610
US10118930, Example 339
CID 137018660
US10118930, Example 346
CID 137018676
US10118930, Example 350
CID 137018717
US10118930, Example 296
CID 137018741
US10118930, Example 300
CID 137018744

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 137018446) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nc(CCOC(C)(C)C)no1.
What is the InChIKey of 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?
The InChIKey is WCHZPUAZJXVPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O3/c1-12-17(19-22-15(25-29-19)7-10-28-20(2,3)4)18-23-16(27)11-14(26(18)24-12)13-5-8-21-9-6-13/h11,13,21H,5-10H2,1-4H3,(H,23,27).
What are the key properties of 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?
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 has a molecular weight of 400.48 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137018446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).