(3S)-1-(2-ethylpyrazol-3-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]piperidin-2-one

C17H21N7O — CID 100653585

IUPAC(3S)-1-(2-ethylpyrazol-3-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]piperidin-2-one
SMILESCCn1nccc1N1CCC[C@H](Nc2nccn3nc(C)cc23)C1=O
InChIInChI=1S/C17H21N7O/c1-3-23-15(6-7-19-23)22-9-4-5-13(17(22)25)20-16-14-11-12(2)21-24(14)10-8-18-16/h6-8,10-11,13H,3-5,9H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyVPIOPHKIOMJSEN-ZDUSSCGKSA-N
MW339.40 g/mol
LogP1.86
Rot. Bonds4

About (3S)-1-(2-ethylpyrazol-3-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]piperidin-2-one

(3S)-1-(2-ethylpyrazol-3-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]piperidin-2-one (PubChem CID 100653585) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is (3S)-1-(2-ethylpyrazol-3-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-(2-ethylpyrazol-3-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]piperidin-2-one
PubChem CID100653585
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name(3S)-1-(2-ethylpyrazol-3-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]piperidin-2-one
SMILESCCn1nccc1N1CCC[C@H](Nc2nccn3nc(C)cc23)C1=O
InChIInChI=1S/C17H21N7O/c1-3-23-15(6-7-19-23)22-9-4-5-13(17(22)25)20-16-14-11-12(2)21-24(14)10-8-18-16/h6-8,10-11,13H,3-5,9H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyVPIOPHKIOMJSEN-ZDUSSCGKSA-N
XLogP1.86
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-ethylpyrazol-3-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]piperidin-2-one?
The IUPAC name of (3S)-1-(2-ethylpyrazol-3-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]piperidin-2-one (CID 100653585) is (3S)-1-(2-ethylpyrazol-3-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]piperidin-2-one.
What is the SMILES notation for (3S)-1-(2-ethylpyrazol-3-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]piperidin-2-one?
The canonical SMILES for (3S)-1-(2-ethylpyrazol-3-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]piperidin-2-one is CCn1nccc1N1CCC[C@H](Nc2nccn3nc(C)cc23)C1=O.
What is the InChIKey of (3S)-1-(2-ethylpyrazol-3-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]piperidin-2-one?
The InChIKey is VPIOPHKIOMJSEN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N7O/c1-3-23-15(6-7-19-23)22-9-4-5-13(17(22)25)20-16-14-11-12(2)21-24(14)10-8-18-16/h6-8,10-11,13H,3-5,9H2,1-2H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (3S)-1-(2-ethylpyrazol-3-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]piperidin-2-one?
(3S)-1-(2-ethylpyrazol-3-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]piperidin-2-one has a molecular weight of 339.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-ethylpyrazol-3-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]piperidin-2-one is sourced from PubChem (CID 100653585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).