2-methyl-1-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]-2,3-dihydroindole-5-sulfonamide

C19H24N4O3S — CID 42926134

IUPAC2-methyl-1-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC1c2cccn2CCN1CC(=O)N1c2ccc(S(N)(=O)=O)cc2CC1C
InChIInChI=1S/C19H24N4O3S/c1-13-10-15-11-16(27(20,25)26)5-6-18(15)23(13)19(24)12-22-9-8-21-7-3-4-17(21)14(22)2/h3-7,11,13-14H,8-10,12H2,1-2H3,(H2,20,25,26)
InChIKeyPBUFZLJHLBJMHX-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.49
Rot. Bonds3

About 2-methyl-1-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]-2,3-dihydroindole-5-sulfonamide

2-methyl-1-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 42926134) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-methyl-1-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-1-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID42926134
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name2-methyl-1-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC1c2cccn2CCN1CC(=O)N1c2ccc(S(N)(=O)=O)cc2CC1C
InChIInChI=1S/C19H24N4O3S/c1-13-10-15-11-16(27(20,25)26)5-6-18(15)23(13)19(24)12-22-9-8-21-7-3-4-17(21)14(22)2/h3-7,11,13-14H,8-10,12H2,1-2H3,(H2,20,25,26)
InChIKeyPBUFZLJHLBJMHX-UHFFFAOYSA-N
XLogP1.49
TPSA88.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 86959289
2-methyl-1-[2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 46563920
2-methyl-1-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 46662706
2-methyl-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 42922246
1-[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55498991
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46425525
1-[2-(7-chloro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 154806728
1-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 43035984
2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 86893523
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 46644162
[2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 27349129
(2S)-1-[2-(N-ethyl-4-fluoroanilino)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 52686297

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 2-methyl-1-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]-2,3-dihydroindole-5-sulfonamide (CID 42926134) is 2-methyl-1-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 2-methyl-1-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 2-methyl-1-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]-2,3-dihydroindole-5-sulfonamide is CC1c2cccn2CCN1CC(=O)N1c2ccc(S(N)(=O)=O)cc2CC1C.
What is the InChIKey of 2-methyl-1-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is PBUFZLJHLBJMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-13-10-15-11-16(27(20,25)26)5-6-18(15)23(13)19(24)12-22-9-8-21-7-3-4-17(21)14(22)2/h3-7,11,13-14H,8-10,12H2,1-2H3,(H2,20,25,26).
What are the key properties of 2-methyl-1-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]-2,3-dihydroindole-5-sulfonamide?
2-methyl-1-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 388.49 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 42926134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).