3-[[(2R)-4-(4-chloro-1H-pyrrole-2-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one

C15H18ClN5O3 — CID 129344097

IUPAC3-[[(2R)-4-(4-chloro-1H-pyrrole-2-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NC[C@@H]2CN(C(=O)c3cc(Cl)c[nH]3)CCO2)c1=O
InChIInChI=1S/C15H18ClN5O3/c1-20-3-2-17-13(15(20)23)19-8-11-9-21(4-5-24-11)14(22)12-6-10(16)7-18-12/h2-3,6-7,11,18H,4-5,8-9H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyYMKXGQJUTDXESH-LLVKDONJSA-N
MW351.79 g/mol
LogP0.71
Rot. Bonds4

About 3-[[(2R)-4-(4-chloro-1H-pyrrole-2-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one

3-[[(2R)-4-(4-chloro-1H-pyrrole-2-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one (PubChem CID 129344097) has the molecular formula C15H18ClN5O3 and a molecular weight of 351.79 g/mol. Its IUPAC name is 3-[[(2R)-4-(4-chloro-1H-pyrrole-2-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[(2R)-4-(4-chloro-1H-pyrrole-2-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
PubChem CID129344097
Molecular FormulaC15H18ClN5O3
Molecular Weight351.79 g/mol
Exact Mass351.11
IUPAC Name3-[[(2R)-4-(4-chloro-1H-pyrrole-2-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NC[C@@H]2CN(C(=O)c3cc(Cl)c[nH]3)CCO2)c1=O
InChIInChI=1S/C15H18ClN5O3/c1-20-3-2-17-13(15(20)23)19-8-11-9-21(4-5-24-11)14(22)12-6-10(16)7-18-12/h2-3,6-7,11,18H,4-5,8-9H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyYMKXGQJUTDXESH-LLVKDONJSA-N
XLogP0.71
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[(2R)-4-(4-chloro-1H-pyrrole-2-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-3-[[(2S)-4-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129338615
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
3-[[(2S)-4-(2,3-difluorobenzoyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129340708
1-methyl-3-[[(2R)-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129341885
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
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-[[(2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholin-2-yl]methylamino]pyrazin-2-one
CID 129339038
1-methyl-3-[[4-(2-pyridin-3-ylpropanoyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 128968480
1-methyl-3-[[(2S)-4-(1H-pyrazol-5-ylmethyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129331494

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-4-(4-chloro-1H-pyrrole-2-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[(2R)-4-(4-chloro-1H-pyrrole-2-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one (CID 129344097) is 3-[[(2R)-4-(4-chloro-1H-pyrrole-2-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[(2R)-4-(4-chloro-1H-pyrrole-2-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[(2R)-4-(4-chloro-1H-pyrrole-2-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one is Cn1ccnc(NC[C@@H]2CN(C(=O)c3cc(Cl)c[nH]3)CCO2)c1=O.
What is the InChIKey of 3-[[(2R)-4-(4-chloro-1H-pyrrole-2-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The InChIKey is YMKXGQJUTDXESH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18ClN5O3/c1-20-3-2-17-13(15(20)23)19-8-11-9-21(4-5-24-11)14(22)12-6-10(16)7-18-12/h2-3,6-7,11,18H,4-5,8-9H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of 3-[[(2R)-4-(4-chloro-1H-pyrrole-2-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
3-[[(2R)-4-(4-chloro-1H-pyrrole-2-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one has a molecular weight of 351.79 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-4-(4-chloro-1H-pyrrole-2-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one is sourced from PubChem (CID 129344097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).