1-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone

C17H24N6O2 — CID 124982478

IUPAC1-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
SMILESCc1n[nH]c(C)c1CC(=O)N1CCO[C@H](c2nccnc2N(C)C)C1
InChIInChI=1S/C17H24N6O2/c1-11-13(12(2)21-20-11)9-15(24)23-7-8-25-14(10-23)16-17(22(3)4)19-6-5-18-16/h5-6,14H,7-10H2,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyMXHMWBXVTLBXDJ-AWEZNQCLSA-N
MW344.42 g/mol
LogP1.03
Rot. Bonds4

About 1-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone

1-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone (PubChem CID 124982478) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
PubChem CID124982478
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
SMILESCc1n[nH]c(C)c1CC(=O)N1CCO[C@H](c2nccnc2N(C)C)C1
InChIInChI=1S/C17H24N6O2/c1-11-13(12(2)21-20-11)9-15(24)23-7-8-25-14(10-23)16-17(22(3)4)19-6-5-18-16/h5-6,14H,7-10H2,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyMXHMWBXVTLBXDJ-AWEZNQCLSA-N
XLogP1.03
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124959140
1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 124957810
1-[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 110105066
1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-pyridin-3-yloxyethanone
CID 124955840
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102568
1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 125010165
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71700852
1,3-benzodioxol-5-yl-[2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 110113060
[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 125015057
N,N-dimethyl-3-[(2S)-4-methylsulfonylmorpholin-2-yl]pyrazin-2-amine
CID 124994888
1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124944446
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(6S)-6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepan-4-yl]ethanone
CID 124990150

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The IUPAC name of 1-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone (CID 124982478) is 1-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone.
What is the SMILES notation for 1-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The canonical SMILES for 1-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone is Cc1n[nH]c(C)c1CC(=O)N1CCO[C@H](c2nccnc2N(C)C)C1.
What is the InChIKey of 1-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The InChIKey is MXHMWBXVTLBXDJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-11-13(12(2)21-20-11)9-15(24)23-7-8-25-14(10-23)16-17(22(3)4)19-6-5-18-16/h5-6,14H,7-10H2,1-4H3,(H,20,21)/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
1-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone has a molecular weight of 344.42 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone is sourced from PubChem (CID 124982478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).