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

C15H18N6O4S — CID 137018281

IUPAC3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCS(=O)(=O)Cc1noc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)n1
InChIInChI=1S/C15H18N6O4S/c1-26(23,24)8-12-18-15(25-20-12)10-7-17-21-11(6-13(22)19-14(10)21)9-2-4-16-5-3-9/h6-7,9,16H,2-5,8H2,1H3,(H,19,22)
InChIKeyYCMCBRZXQCAQLO-UHFFFAOYSA-N
MW378.41 g/mol
LogP0.08
Rot. Bonds4

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

3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018281) has the molecular formula C15H18N6O4S and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018281
Molecular FormulaC15H18N6O4S
Molecular Weight378.41 g/mol
Exact Mass378.11
IUPAC Name3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCS(=O)(=O)Cc1noc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)n1
InChIInChI=1S/C15H18N6O4S/c1-26(23,24)8-12-18-15(25-20-12)10-7-17-21-11(6-13(22)19-14(10)21)9-2-4-16-5-3-9/h6-7,9,16H,2-5,8H2,1H3,(H,19,22)
InChIKeyYCMCBRZXQCAQLO-UHFFFAOYSA-N
XLogP0.08
TPSA135.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

US10118930, Example 192
CID 137018727
US10118930, Example 105
CID 137018264
US10118930, Example 107
CID 137018266
US10118930, Example 108
CID 137018269
US10118930, Example 262
CID 137018310
US10118930, Example 257
CID 137018314
US10118930, Example 212
CID 137018352
US10118930, Example 193
CID 137018375
US10118930, Example 201
CID 137018380
US10118930, Example 221
CID 137018382
US10118930, Example 256
CID 137018391
US10118930, Example 303
CID 137018429

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018281) is 3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CS(=O)(=O)Cc1noc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)n1.
What is the InChIKey of 3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is YCMCBRZXQCAQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O4S/c1-26(23,24)8-12-18-15(25-20-12)10-7-17-21-11(6-13(22)19-14(10)21)9-2-4-16-5-3-9/h6-7,9,16H,2-5,8H2,1H3,(H,19,22).
What are the key properties of 3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 378.41 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).