5-[[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]methyl]thiophene-2-carbonitrile

C17H21N5O2S — CID 129344570

IUPAC5-[[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]methyl]thiophene-2-carbonitrile
SMILESCN(C[C@H]1CN(Cc2ccc(C#N)s2)CCO1)c1nccn(C)c1=O
InChIInChI=1S/C17H21N5O2S/c1-20-6-5-19-16(17(20)23)21(2)10-13-11-22(7-8-24-13)12-15-4-3-14(9-18)25-15/h3-6,13H,7-8,10-12H2,1-2H3/t13-/m0/s1
InChIKeyZUSHGGXCSNYJOT-ZDUSSCGKSA-N
MW359.46 g/mol
LogP1.05
Rot. Bonds5

About 5-[[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]methyl]thiophene-2-carbonitrile

5-[[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]methyl]thiophene-2-carbonitrile (PubChem CID 129344570) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 5-[[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]methyl]thiophene-2-carbonitrile
PubChem CID129344570
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name5-[[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]methyl]thiophene-2-carbonitrile
SMILESCN(C[C@H]1CN(Cc2ccc(C#N)s2)CCO1)c1nccn(C)c1=O
InChIInChI=1S/C17H21N5O2S/c1-20-6-5-19-16(17(20)23)21(2)10-13-11-22(7-8-24-13)12-15-4-3-14(9-18)25-15/h3-6,13H,7-8,10-12H2,1-2H3/t13-/m0/s1
InChIKeyZUSHGGXCSNYJOT-ZDUSSCGKSA-N
XLogP1.05
TPSA74.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[(2R)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
CID 129339094
3-[[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
CID 129334222
3-[[(2R)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
CID 129332131
1-methyl-3-[methyl-[[(2S)-4-[3-(2-methylimidazol-1-yl)propyl]morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 129334937
6-[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]pyridine-3-carbonitrile
CID 129331971
1-methyl-3-[methyl-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]amino]pyrazin-2-one;hydrochloride
CID 120856849
1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 120905223
3-[[4-(5,6-dimethylpyridazin-3-yl)morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
CID 128997729
1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 98013250
1-methyl-3-[methyl-[[(2S)-4-(2-methylfuran-3-carbonyl)morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 129333935
2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(5-methyl-1,2-oxazol-3-yl)morpholine-4-carboxamide
CID 129002742
1-methyl-3-[methyl-[[(2R)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 129333450

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]methyl]thiophene-2-carbonitrile (CID 129344570) is 5-[[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]methyl]thiophene-2-carbonitrile is CN(C[C@H]1CN(Cc2ccc(C#N)s2)CCO1)c1nccn(C)c1=O.
What is the InChIKey of 5-[[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]methyl]thiophene-2-carbonitrile?
The InChIKey is ZUSHGGXCSNYJOT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-20-6-5-19-16(17(20)23)21(2)10-13-11-22(7-8-24-13)12-15-4-3-14(9-18)25-15/h3-6,13H,7-8,10-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 5-[[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]methyl]thiophene-2-carbonitrile?
5-[[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]methyl]thiophene-2-carbonitrile has a molecular weight of 359.46 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 129344570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).