(7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C15H22N4O2 — CID 163276674

IUPAC(7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1COCCN1c1cc2n(n1)[C@@H](C1CCC1)CNC2=O
InChIInChI=1S/C15H22N4O2/c1-10-9-21-6-5-18(10)14-7-12-15(20)16-8-13(19(12)17-14)11-3-2-4-11/h7,10-11,13H,2-6,8-9H2,1H3,(H,16,20)/t10-,13-/m1/s1
InChIKeyVFRNGGRQEQZAIO-ZWNOBZJWSA-N
MW290.37 g/mol
LogP1.19
Rot. Bonds2

About (7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

(7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 163276674) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID163276674
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1COCCN1c1cc2n(n1)[C@@H](C1CCC1)CNC2=O
InChIInChI=1S/C15H22N4O2/c1-10-9-21-6-5-18(10)14-7-12-15(20)16-8-13(19(12)17-14)11-3-2-4-11/h7,10-11,13H,2-6,8-9H2,1H3,(H,16,20)/t10-,13-/m1/s1
InChIKeyVFRNGGRQEQZAIO-ZWNOBZJWSA-N
XLogP1.19
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 163276674) is (7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is C[C@@H]1COCCN1c1cc2n(n1)[C@@H](C1CCC1)CNC2=O.
What is the InChIKey of (7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VFRNGGRQEQZAIO-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-9-21-6-5-18(10)14-7-12-15(20)16-8-13(19(12)17-14)11-3-2-4-11/h7,10-11,13H,2-6,8-9H2,1H3,(H,16,20)/t10-,13-/m1/s1.
What are the key properties of (7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 290.37 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 163276674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).