1-methyl-5-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-2-one

C13H17N5O — CID 56898222

IUPAC1-methyl-5-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-2-one
SMILESCc1cc(NC2CCC(=O)N(C)C2)n2nccc2n1
InChIInChI=1S/C13H17N5O/c1-9-7-12(18-11(15-9)5-6-14-18)16-10-3-4-13(19)17(2)8-10/h5-7,10,16H,3-4,8H2,1-2H3
InChIKeyFMRDLSRVMLNXMD-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.07
Rot. Bonds2

About 1-methyl-5-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-2-one

1-methyl-5-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-2-one (PubChem CID 56898222) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-methyl-5-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-2-one
PubChem CID56898222
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-methyl-5-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-2-one
SMILESCc1cc(NC2CCC(=O)N(C)C2)n2nccc2n1
InChIInChI=1S/C13H17N5O/c1-9-7-12(18-11(15-9)5-6-14-18)16-10-3-4-13(19)17(2)8-10/h5-7,10,16H,3-4,8H2,1-2H3
InChIKeyFMRDLSRVMLNXMD-UHFFFAOYSA-N
XLogP1.07
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-2-one?
The IUPAC name of 1-methyl-5-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-2-one (CID 56898222) is 1-methyl-5-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-2-one is Cc1cc(NC2CCC(=O)N(C)C2)n2nccc2n1.
What is the InChIKey of 1-methyl-5-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-2-one?
The InChIKey is FMRDLSRVMLNXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-7-12(18-11(15-9)5-6-14-18)16-10-3-4-13(19)17(2)8-10/h5-7,10,16H,3-4,8H2,1-2H3.
What are the key properties of 1-methyl-5-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-2-one?
1-methyl-5-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-2-one has a molecular weight of 259.31 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-2-one is sourced from PubChem (CID 56898222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).