3-[[(2S)-4-(2,3-difluorobenzoyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one

C17H18F2N4O3 — CID 129340708

IUPAC3-[[(2S)-4-(2,3-difluorobenzoyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NC[C@H]2CN(C(=O)c3cccc(F)c3F)CCO2)c1=O
InChIInChI=1S/C17H18F2N4O3/c1-22-6-5-20-15(17(22)25)21-9-11-10-23(7-8-26-11)16(24)12-3-2-4-13(18)14(12)19/h2-6,11H,7-10H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyQJBYIRGDPNCEAH-NSHDSACASA-N
MW364.35 g/mol
LogP1.01
Rot. Bonds4

About 3-[[(2S)-4-(2,3-difluorobenzoyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one

3-[[(2S)-4-(2,3-difluorobenzoyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one (PubChem CID 129340708) has the molecular formula C17H18F2N4O3 and a molecular weight of 364.35 g/mol. Its IUPAC name is 3-[[(2S)-4-(2,3-difluorobenzoyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[(2S)-4-(2,3-difluorobenzoyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
PubChem CID129340708
Molecular FormulaC17H18F2N4O3
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC Name3-[[(2S)-4-(2,3-difluorobenzoyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NC[C@H]2CN(C(=O)c3cccc(F)c3F)CCO2)c1=O
InChIInChI=1S/C17H18F2N4O3/c1-22-6-5-20-15(17(22)25)21-9-11-10-23(7-8-26-11)16(24)12-3-2-4-13(18)14(12)19/h2-6,11H,7-10H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyQJBYIRGDPNCEAH-NSHDSACASA-N
XLogP1.01
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[(2S)-4-(2,3-difluorobenzoyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one with MolForge

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Related Compounds

3-[[(2R)-4-[(2S)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129341750
3-[[(2S)-4-[(2R)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129341753
1-methyl-3-[[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129344172
3-[[4-(3,4-dihydro-2H-pyran-5-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129000438
1-methyl-3-[[(2S)-4-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129338615
3-[[(2R)-4-(4-chloro-1H-pyrrole-2-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129344097
2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(oxolan-2-ylmethyl)morpholine-4-carboxamide
CID 129000674
1-methyl-3-[[4-(1-propylpyrazole-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129002643
1-methyl-3-[[4-(2-pyridin-3-ylpropanoyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 128968480
1-methyl-3-[[(2R)-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129341885
1-methyl-3-[[(2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholin-2-yl]methylamino]pyrazin-2-one
CID 129339038
3-[[4-(imidazo[1,2-a]pyridin-5-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129003384

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-4-(2,3-difluorobenzoyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[(2S)-4-(2,3-difluorobenzoyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one (CID 129340708) is 3-[[(2S)-4-(2,3-difluorobenzoyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[(2S)-4-(2,3-difluorobenzoyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[(2S)-4-(2,3-difluorobenzoyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one is Cn1ccnc(NC[C@H]2CN(C(=O)c3cccc(F)c3F)CCO2)c1=O.
What is the InChIKey of 3-[[(2S)-4-(2,3-difluorobenzoyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The InChIKey is QJBYIRGDPNCEAH-NSHDSACASA-N. The full InChI is InChI=1S/C17H18F2N4O3/c1-22-6-5-20-15(17(22)25)21-9-11-10-23(7-8-26-11)16(24)12-3-2-4-13(18)14(12)19/h2-6,11H,7-10H2,1H3,(H,20,21)/t11-/m0/s1.
What are the key properties of 3-[[(2S)-4-(2,3-difluorobenzoyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
3-[[(2S)-4-(2,3-difluorobenzoyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one has a molecular weight of 364.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-4-(2,3-difluorobenzoyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one is sourced from PubChem (CID 129340708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).