1-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one

C19H27N5O3S — CID 126900033

IUPAC1-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one
SMILESCc1cc(N2CCC(N3CC(CS(C)(=O)=O)CC3=O)CC2)n2nc(C)cc2n1
InChIInChI=1S/C19H27N5O3S/c1-13-9-18(24-17(20-13)8-14(2)21-24)22-6-4-16(5-7-22)23-11-15(10-19(23)25)12-28(3,26)27/h8-9,15-16H,4-7,10-12H2,1-3H3
InChIKeyCNPQEUHEWUBSKW-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.21
Rot. Bonds4

About 1-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one

1-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one (PubChem CID 126900033) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one
PubChem CID126900033
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Name1-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one
SMILESCc1cc(N2CCC(N3CC(CS(C)(=O)=O)CC3=O)CC2)n2nc(C)cc2n1
InChIInChI=1S/C19H27N5O3S/c1-13-9-18(24-17(20-13)8-14(2)21-24)22-6-4-16(5-7-22)23-11-15(10-19(23)25)12-28(3,26)27/h8-9,15-16H,4-7,10-12H2,1-3H3
InChIKeyCNPQEUHEWUBSKW-UHFFFAOYSA-N
XLogP1.21
TPSA87.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
CID 164640132
1-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one
CID 126900004
1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899745
1-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one
CID 126900028
7-[3-(fluoromethyl)piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 155941691
2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864639
2,5-dimethyl-7-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 126947537
2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126863098
2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171994133
N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide
CID 175649058
1-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one
CID 126899960
1-[1-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945585

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one (CID 126900033) is 1-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one is Cc1cc(N2CCC(N3CC(CS(C)(=O)=O)CC3=O)CC2)n2nc(C)cc2n1.
What is the InChIKey of 1-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one?
The InChIKey is CNPQEUHEWUBSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-13-9-18(24-17(20-13)8-14(2)21-24)22-6-4-16(5-7-22)23-11-15(10-19(23)25)12-28(3,26)27/h8-9,15-16H,4-7,10-12H2,1-3H3.
What are the key properties of 1-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one?
1-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one has a molecular weight of 405.52 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 126900033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).