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

C14H22N4O2 — CID 163276622

IUPAC(7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)[C@H]1CNC(=O)c2cc(N3CCOC[C@H]3C)nn21
InChIInChI=1S/C14H22N4O2/c1-9(2)12-7-15-14(19)11-6-13(16-18(11)12)17-4-5-20-8-10(17)3/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,15,19)/t10-,12-/m1/s1
InChIKeyCYPSSQPWVAKPSS-ZYHUDNBSSA-N
MW278.36 g/mol
LogP1.05
Rot. Bonds2

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

(7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 163276622) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID163276622
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)[C@H]1CNC(=O)c2cc(N3CCOC[C@H]3C)nn21
InChIInChI=1S/C14H22N4O2/c1-9(2)12-7-15-14(19)11-6-13(16-18(11)12)17-4-5-20-8-10(17)3/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,15,19)/t10-,12-/m1/s1
InChIKeyCYPSSQPWVAKPSS-ZYHUDNBSSA-N
XLogP1.05
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-7-(1-methylcyclopropyl)-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163276691
(7R)-7-[(2S)-2-methylbutyl]-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 164514457
(7S)-7-cyclobutyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163276674
(7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-ylspiro[5,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-4-one
CID 163276654
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
[2-(3-methylmorpholin-4-yl)-6-propan-2-yl-4-pyridinyl]methanamine
CID 113381355
(3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine
CID 141272787
azane;3-methyl-4-pyrimidin-4-ylmorpholine
CID 175987866
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
4-(4-chloro-6-methyl-2-pyridinyl)-3-methylmorpholine
CID 166928502
(3R)-4-[5-fluoro-8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 167020263
(3R)-4-[5-fluoro-4,7-bis(2-methylpyrazol-3-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 170224825

Frequently Asked Questions

What is the IUPAC name of (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 163276622) is (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is CC(C)[C@H]1CNC(=O)c2cc(N3CCOC[C@H]3C)nn21.
What is the InChIKey of (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is CYPSSQPWVAKPSS-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9(2)12-7-15-14(19)11-6-13(16-18(11)12)17-4-5-20-8-10(17)3/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,15,19)/t10-,12-/m1/s1.
What are the key properties of (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 278.36 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 163276622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).