2-[(2S)-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone

C21H26N4O3 — CID 125017321

IUPAC2-[(2S)-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESCOc1ccc(-c2cncc([C@@H]3CN(CC(=O)N4CCCC4)CCO3)n2)cc1
InChIInChI=1S/C21H26N4O3/c1-27-17-6-4-16(5-7-17)18-12-22-13-19(23-18)20-14-24(10-11-28-20)15-21(26)25-8-2-3-9-25/h4-7,12-13,20H,2-3,8-11,14-15H2,1H3/t20-/m0/s1
InChIKeyXGQSADLYHUBSFV-FQEVSTJZSA-N
MW382.46 g/mol
LogP2.15
Rot. Bonds5

About 2-[(2S)-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone

2-[(2S)-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 125017321) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[(2S)-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2S)-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone
PubChem CID125017321
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-[(2S)-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESCOc1ccc(-c2cncc([C@@H]3CN(CC(=O)N4CCCC4)CCO3)n2)cc1
InChIInChI=1S/C21H26N4O3/c1-27-17-6-4-16(5-7-17)18-12-22-13-19(23-18)20-14-24(10-11-28-20)15-21(26)25-8-2-3-9-25/h4-7,12-13,20H,2-3,8-11,14-15H2,1H3/t20-/m0/s1
InChIKeyXGQSADLYHUBSFV-FQEVSTJZSA-N
XLogP2.15
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone
CID 125017322
2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 125026040
4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine
CID 127250979
(2S)-4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine
CID 124943789
2-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 95819602
2-[6-(4-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine
CID 127251047
1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110255376
1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 127251454
1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone
CID 138994235
(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124975171
2-(1H-indol-3-yl)-1-[(2S)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124956255
1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone
CID 71937098

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(2S)-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone (CID 125017321) is 2-[(2S)-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(2S)-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(2S)-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone is COc1ccc(-c2cncc([C@@H]3CN(CC(=O)N4CCCC4)CCO3)n2)cc1.
What is the InChIKey of 2-[(2S)-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is XGQSADLYHUBSFV-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-27-17-6-4-16(5-7-17)18-12-22-13-19(23-18)20-14-24(10-11-28-20)15-21(26)25-8-2-3-9-25/h4-7,12-13,20H,2-3,8-11,14-15H2,1H3/t20-/m0/s1.
What are the key properties of 2-[(2S)-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone?
2-[(2S)-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 382.46 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 125017321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).