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

C16H26N4O2 — CID 164514457

IUPAC(7R)-7-[(2S)-2-methylbutyl]-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCC[C@H](C)C[C@@H]1CNC(=O)c2cc(N3CCOC[C@H]3C)nn21
InChIInChI=1S/C16H26N4O2/c1-4-11(2)7-13-9-17-16(21)14-8-15(18-20(13)14)19-5-6-22-10-12(19)3/h8,11-13H,4-7,9-10H2,1-3H3,(H,17,21)/t11-,12+,13+/m0/s1
InChIKeyCCCFGCDKFZCHBI-YNEHKIRRSA-N
MW306.41 g/mol
LogP1.83
Rot. Bonds4

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

(7R)-7-[(2S)-2-methylbutyl]-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 164514457) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (7R)-7-[(2S)-2-methylbutyl]-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7R)-7-[(2S)-2-methylbutyl]-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID164514457
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(7R)-7-[(2S)-2-methylbutyl]-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCC[C@H](C)C[C@@H]1CNC(=O)c2cc(N3CCOC[C@H]3C)nn21
InChIInChI=1S/C16H26N4O2/c1-4-11(2)7-13-9-17-16(21)14-8-15(18-20(13)14)19-5-6-22-10-12(19)3/h8,11-13H,4-7,9-10H2,1-3H3,(H,17,21)/t11-,12+,13+/m0/s1
InChIKeyCCCFGCDKFZCHBI-YNEHKIRRSA-N
XLogP1.83
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

(7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163276622
(7R)-7-(1-methylcyclopropyl)-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163276691
(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-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
[2-(3-methylmorpholin-4-yl)-6-propan-2-yl-4-pyridinyl]methanamine
CID 113381355
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine
CID 175431914
(3R)-4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine
CID 166928268
[6-(3-methylmorpholin-4-yl)-2-propylpyrimidin-4-yl]hydrazine
CID 80947151
4-[2-chloro-6-[[(S)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine
CID 88545272
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[(2S)-2-methylbutyl]-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7R)-7-[(2S)-2-methylbutyl]-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 164514457) is (7R)-7-[(2S)-2-methylbutyl]-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7R)-7-[(2S)-2-methylbutyl]-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7R)-7-[(2S)-2-methylbutyl]-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is CC[C@H](C)C[C@@H]1CNC(=O)c2cc(N3CCOC[C@H]3C)nn21.
What is the InChIKey of (7R)-7-[(2S)-2-methylbutyl]-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is CCCFGCDKFZCHBI-YNEHKIRRSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-11(2)7-13-9-17-16(21)14-8-15(18-20(13)14)19-5-6-22-10-12(19)3/h8,11-13H,4-7,9-10H2,1-3H3,(H,17,21)/t11-,12+,13+/m0/s1.
What are the key properties of (7R)-7-[(2S)-2-methylbutyl]-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(7R)-7-[(2S)-2-methylbutyl]-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 306.41 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[(2S)-2-methylbutyl]-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 164514457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).