1-[6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

C18H22N4O4S — CID 75494749

IUPAC1-[6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)N3CCOC(c4cnn(C)c4)C3)cc21
InChIInChI=1S/C18H22N4O4S/c1-13(23)22-6-5-14-3-4-16(9-17(14)22)27(24,25)21-7-8-26-18(12-21)15-10-19-20(2)11-15/h3-4,9-11,18H,5-8,12H2,1-2H3
InChIKeyPJZSMAXGFBKRKR-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.09
Rot. Bonds3

About 1-[6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

1-[6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 75494749) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 1-[6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID75494749
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name1-[6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)N3CCOC(c4cnn(C)c4)C3)cc21
InChIInChI=1S/C18H22N4O4S/c1-13(23)22-6-5-14-3-4-16(9-17(14)22)27(24,25)21-7-8-26-18(12-21)15-10-19-20(2)11-15/h3-4,9-11,18H,5-8,12H2,1-2H3
InChIKeyPJZSMAXGFBKRKR-UHFFFAOYSA-N
XLogP1.09
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

1-[6-(3-aminoazetidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 65244298
(2R)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine
CID 129400028
1-[6-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119972227
(2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine
CID 96545659
4-(2-chloro-5-fluorophenyl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
CID 75494719
1-[6-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119977913
1-[6-[3-(1-aminoethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 120582987
1-[6-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 119975059
(2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 99827482
5-chloro-2-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonylbenzonitrile
CID 128998920
(2S)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
CID 129327835
(2R)-4-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 176675688

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 75494749) is 1-[6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2ccc(S(=O)(=O)N3CCOC(c4cnn(C)c4)C3)cc21.
What is the InChIKey of 1-[6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is PJZSMAXGFBKRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-13(23)22-6-5-14-3-4-16(9-17(14)22)27(24,25)21-7-8-26-18(12-21)15-10-19-20(2)11-15/h3-4,9-11,18H,5-8,12H2,1-2H3.
What are the key properties of 1-[6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
1-[6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 390.47 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 75494749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).