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

C17H24N4O2 — CID 163276692

IUPAC(6S,7R)-6,7-dicyclopropyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1COCCN1c1cc2n(n1)[C@H](C1CC1)[C@H](C1CC1)NC2=O
InChIInChI=1S/C17H24N4O2/c1-10-9-23-7-6-20(10)14-8-13-17(22)18-15(11-2-3-11)16(12-4-5-12)21(13)19-14/h8,10-12,15-16H,2-7,9H2,1H3,(H,18,22)/t10-,15+,16-/m1/s1
InChIKeyRERJPQRUISMFBU-HPEXNQPKSA-N
MW316.41 g/mol
LogP1.58
Rot. Bonds3

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

(6S,7R)-6,7-dicyclopropyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 163276692) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (6S,7R)-6,7-dicyclopropyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(6S,7R)-6,7-dicyclopropyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID163276692
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(6S,7R)-6,7-dicyclopropyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1COCCN1c1cc2n(n1)[C@H](C1CC1)[C@H](C1CC1)NC2=O
InChIInChI=1S/C17H24N4O2/c1-10-9-23-7-6-20(10)14-8-13-17(22)18-15(11-2-3-11)16(12-4-5-12)21(13)19-14/h8,10-12,15-16H,2-7,9H2,1H3,(H,18,22)/t10-,15+,16-/m1/s1
InChIKeyRERJPQRUISMFBU-HPEXNQPKSA-N
XLogP1.58
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S,7R)-6,7-dicyclopropyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (6S,7R)-6,7-dicyclopropyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 163276692) is (6S,7R)-6,7-dicyclopropyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (6S,7R)-6,7-dicyclopropyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (6S,7R)-6,7-dicyclopropyl-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](C1CC1)[C@H](C1CC1)NC2=O.
What is the InChIKey of (6S,7R)-6,7-dicyclopropyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is RERJPQRUISMFBU-HPEXNQPKSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-10-9-23-7-6-20(10)14-8-13-17(22)18-15(11-2-3-11)16(12-4-5-12)21(13)19-14/h8,10-12,15-16H,2-7,9H2,1H3,(H,18,22)/t10-,15+,16-/m1/s1.
What are the key properties of (6S,7R)-6,7-dicyclopropyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(6S,7R)-6,7-dicyclopropyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 316.41 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R)-6,7-dicyclopropyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 163276692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).