1-benzothiophen-2-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone

C18H18N4O2S — CID 124947338

IUPAC1-benzothiophen-2-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
SMILESCNc1nccnc1[C@H]1CN(C(=O)c2cc3ccccc3s2)CCO1
InChIInChI=1S/C18H18N4O2S/c1-19-17-16(20-6-7-21-17)13-11-22(8-9-24-13)18(23)15-10-12-4-2-3-5-14(12)25-15/h2-7,10,13H,8-9,11H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyCFBBVJILKJDPCI-CYBMUJFWSA-N
MW354.44 g/mol
LogP2.95
Rot. Bonds3

About 1-benzothiophen-2-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone

1-benzothiophen-2-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone (PubChem CID 124947338) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
PubChem CID124947338
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name1-benzothiophen-2-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
SMILESCNc1nccnc1[C@H]1CN(C(=O)c2cc3ccccc3s2)CCO1
InChIInChI=1S/C18H18N4O2S/c1-19-17-16(20-6-7-21-17)13-11-22(8-9-24-13)18(23)15-10-12-4-2-3-5-14(12)25-15/h2-7,10,13H,8-9,11H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyCFBBVJILKJDPCI-CYBMUJFWSA-N
XLogP2.95
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-quinolin-3-ylmethanone
CID 125018611
[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-thiophen-3-ylmethanone
CID 125008845
2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124983075
[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 110112895
1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 125012972
2,3-dihydro-1,4-benzodioxin-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124948136
(5-fluoro-2-methoxyphenyl)-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124941841
2-(2-methoxyphenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 110112925
2-(3-fluorophenyl)-1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124968195
1-benzothiophen-2-yl-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124940586
1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 124941277
2-cyclopentyl-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 110112937

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone?
The IUPAC name of 1-benzothiophen-2-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone (CID 124947338) is 1-benzothiophen-2-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone?
The canonical SMILES for 1-benzothiophen-2-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone is CNc1nccnc1[C@H]1CN(C(=O)c2cc3ccccc3s2)CCO1.
What is the InChIKey of 1-benzothiophen-2-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone?
The InChIKey is CFBBVJILKJDPCI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-19-17-16(20-6-7-21-17)13-11-22(8-9-24-13)18(23)15-10-12-4-2-3-5-14(12)25-15/h2-7,10,13H,8-9,11H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of 1-benzothiophen-2-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone?
1-benzothiophen-2-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone has a molecular weight of 354.44 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 124947338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).