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

C14H22N4O3 — CID 163276666

IUPAC(7S)-7-(2-hydroxypropan-2-yl)-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1COCCN1c1cc2n(n1)[C@H](C(C)(C)O)CNC2=O
InChIInChI=1S/C14H22N4O3/c1-9-8-21-5-4-17(9)12-6-10-13(19)15-7-11(14(2,3)20)18(10)16-12/h6,9,11,20H,4-5,7-8H2,1-3H3,(H,15,19)/t9-,11+/m1/s1
InChIKeyPXOYLUIUXHDFDO-KOLCDFICSA-N
MW294.36 g/mol
LogP0.16
Rot. Bonds2

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

(7S)-7-(2-hydroxypropan-2-yl)-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 163276666) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is (7S)-7-(2-hydroxypropan-2-yl)-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-7-(2-hydroxypropan-2-yl)-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID163276666
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name(7S)-7-(2-hydroxypropan-2-yl)-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1COCCN1c1cc2n(n1)[C@H](C(C)(C)O)CNC2=O
InChIInChI=1S/C14H22N4O3/c1-9-8-21-5-4-17(9)12-6-10-13(19)15-7-11(14(2,3)20)18(10)16-12/h6,9,11,20H,4-5,7-8H2,1-3H3,(H,15,19)/t9-,11+/m1/s1
InChIKeyPXOYLUIUXHDFDO-KOLCDFICSA-N
XLogP0.16
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-(2-hydroxypropan-2-yl)-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-7-(2-hydroxypropan-2-yl)-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 163276666) is (7S)-7-(2-hydroxypropan-2-yl)-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-(2-hydroxypropan-2-yl)-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-7-(2-hydroxypropan-2-yl)-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](C(C)(C)O)CNC2=O.
What is the InChIKey of (7S)-7-(2-hydroxypropan-2-yl)-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is PXOYLUIUXHDFDO-KOLCDFICSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9-8-21-5-4-17(9)12-6-10-13(19)15-7-11(14(2,3)20)18(10)16-12/h6,9,11,20H,4-5,7-8H2,1-3H3,(H,15,19)/t9-,11+/m1/s1.
What are the key properties of (7S)-7-(2-hydroxypropan-2-yl)-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(7S)-7-(2-hydroxypropan-2-yl)-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 294.36 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2-hydroxypropan-2-yl)-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 163276666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).