5-bromo-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one;5-bromo-3-(1-methylsulfonylpiperidin-4-ylidene)-1H-indol-2-one;7-(1H-indol-3-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(1H-indol-3-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone

C71H84Br2N14O10S3 — CID 160579256

IUPAC5-bromo-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one;5-bromo-3-(1-methylsulfonylpiperidin-4-ylidene)-1H-indol-2-one;7-(1H-indol-3-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(1H-indol-3-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CCC(=C2C(=O)Nc3ccc(Br)cc32)CC1.CS(=O)(=O)N1CCC(C2C(=O)Nc3ccc(Br)cc32)CC1.O=C1NCC2CN(c3c[nH]c4ccccc34)CCN12.O=S1(=O)CCC2CN(c3c[nH]c4ccccc34)CCN21
InChIInChI=1S/C15H19N3O.C14H17BrN2O3S.C14H15BrN2O3S.C14H16N4O.C14H17N3O2S/c1-12(19)17-7-4-8-18(10-9-17)15-11-16-14-6-3-2-5-13(14)15;2*1-21(19,20)17-6-4-9(5-7-17)13-11-8-10(15)2-3-12(11)16-14(13)18;19-14-16-7-10-9-17(5-6-18(10)14)13-8-15-12-4-2-1-3-11(12)13;18-20(19)8-5-11-10-16(6-7-17(11)20)14-9-15-13-4-2-1-3-12(13)14/h2-3,5-6,11,16H,4,7-10H2,1H3;2-3,8-9,13H,4-7H2,1H3,(H,16,18);2-3,8H,4-7H2,1H3,(H,16,18);1-4,8,10,15H,5-7,9H2,(H,16,19);1-4,9,11,15H,5-8,10H2
InChIKeyRBOCUGGFHGYGPX-UHFFFAOYSA-N
MW1549.55 g/mol
LogP9.37
Rot. Bonds6

About 5-bromo-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one;5-bromo-3-(1-methylsulfonylpiperidin-4-ylidene)-1H-indol-2-one;7-(1H-indol-3-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(1H-indol-3-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone

5-bromo-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one;5-bromo-3-(1-methylsulfonylpiperidin-4-ylidene)-1H-indol-2-one;7-(1H-indol-3-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(1H-indol-3-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone (PubChem CID 160579256) has the molecular formula C71H84Br2N14O10S3 and a molecular weight of 1549.55 g/mol. Its IUPAC name is 5-bromo-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one;5-bromo-3-(1-methylsulfonylpiperidin-4-ylidene)-1H-indol-2-one;7-(1H-indol-3-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(1H-indol-3-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name5-bromo-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one;5-bromo-3-(1-methylsulfonylpiperidin-4-ylidene)-1H-indol-2-one;7-(1H-indol-3-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(1H-indol-3-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone
PubChem CID160579256
Molecular FormulaC71H84Br2N14O10S3
Molecular Weight1549.55 g/mol
Exact Mass1546.40
IUPAC Name5-bromo-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one;5-bromo-3-(1-methylsulfonylpiperidin-4-ylidene)-1H-indol-2-one;7-(1H-indol-3-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(1H-indol-3-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CCC(=C2C(=O)Nc3ccc(Br)cc32)CC1.CS(=O)(=O)N1CCC(C2C(=O)Nc3ccc(Br)cc32)CC1.O=C1NCC2CN(c3c[nH]c4ccccc34)CCN12.O=S1(=O)CCC2CN(c3c[nH]c4ccccc34)CCN21
InChIInChI=1S/C15H19N3O.C14H17BrN2O3S.C14H15BrN2O3S.C14H16N4O.C14H17N3O2S/c1-12(19)17-7-4-8-18(10-9-17)15-11-16-14-6-3-2-5-13(14)15;2*1-21(19,20)17-6-4-9(5-7-17)13-11-8-10(15)2-3-12(11)16-14(13)18;19-14-16-7-10-9-17(5-6-18(10)14)13-8-15-12-4-2-1-3-11(12)13;18-20(19)8-5-11-10-16(6-7-17(11)20)14-9-15-13-4-2-1-3-12(13)14/h2-3,5-6,11,16H,4,7-10H2,1H3;2-3,8-9,13H,4-7H2,1H3,(H,16,18);2-3,8H,4-7H2,1H3,(H,16,18);1-4,8,10,15H,5-7,9H2,(H,16,19);1-4,9,11,15H,5-8,10H2
InChIKeyRBOCUGGFHGYGPX-UHFFFAOYSA-N
XLogP9.37
TPSA280.08 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001549.55
LogP ≤ 59.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-bromo-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one;5-bromo-3-(1-methylsulfonylpiperidin-4-ylidene)-1H-indol-2-one;7-(1H-indol-3-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(1H-indol-3-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone with MolForge

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Related Compounds

5-bromo-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one;5-bromo-3-(1-methylsulfonylpiperidin-4-ylidene)-1H-indol-2-one;7-(1H-indol-3-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(1H-indol-3-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide
CID 159015621
1'-acetylspiro[1H-indole-3,4'-piperidine]-2-one;1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanamine;1'-methylsulfonylspiro[1,2-dihydroindole-3,4'-piperidine];1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 159578419
5-bromo-1'-methylsulfonylspiro[1H-indole-3,2'-pyrrolidine]-2-one;bis(5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-1'-methylsulfonylspiro[1H-indole-3,2'-pyrrolidine]-2-one);3-(1H-indol-3-yl)propan-1-amine;5-methyl-1'-methylsulfonylspiro[1H-indole-3,2'-pyrrolidine]-2-one;3-(4-methylsulfonylbutyl)-1H-indole
CID 161992439

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one;5-bromo-3-(1-methylsulfonylpiperidin-4-ylidene)-1H-indol-2-one;7-(1H-indol-3-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(1H-indol-3-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 5-bromo-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one;5-bromo-3-(1-methylsulfonylpiperidin-4-ylidene)-1H-indol-2-one;7-(1H-indol-3-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(1H-indol-3-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone (CID 160579256) is 5-bromo-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one;5-bromo-3-(1-methylsulfonylpiperidin-4-ylidene)-1H-indol-2-one;7-(1H-indol-3-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(1H-indol-3-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 5-bromo-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one;5-bromo-3-(1-methylsulfonylpiperidin-4-ylidene)-1H-indol-2-one;7-(1H-indol-3-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(1H-indol-3-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 5-bromo-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one;5-bromo-3-(1-methylsulfonylpiperidin-4-ylidene)-1H-indol-2-one;7-(1H-indol-3-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(1H-indol-3-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone is CC(=O)N1CCCN(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CCC(=C2C(=O)Nc3ccc(Br)cc32)CC1.CS(=O)(=O)N1CCC(C2C(=O)Nc3ccc(Br)cc32)CC1.O=C1NCC2CN(c3c[nH]c4ccccc34)CCN12.O=S1(=O)CCC2CN(c3c[nH]c4ccccc34)CCN21.
What is the InChIKey of 5-bromo-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one;5-bromo-3-(1-methylsulfonylpiperidin-4-ylidene)-1H-indol-2-one;7-(1H-indol-3-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(1H-indol-3-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone?
The InChIKey is RBOCUGGFHGYGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.C14H17BrN2O3S.C14H15BrN2O3S.C14H16N4O.C14H17N3O2S/c1-12(19)17-7-4-8-18(10-9-17)15-11-16-14-6-3-2-5-13(14)15;2*1-21(19,20)17-6-4-9(5-7-17)13-11-8-10(15)2-3-12(11)16-14(13)18;19-14-16-7-10-9-17(5-6-18(10)14)13-8-15-12-4-2-1-3-11(12)13;18-20(19)8-5-11-10-16(6-7-17(11)20)14-9-15-13-4-2-1-3-12(13)14/h2-3,5-6,11,16H,4,7-10H2,1H3;2-3,8-9,13H,4-7H2,1H3,(H,16,18);2-3,8H,4-7H2,1H3,(H,16,18);1-4,8,10,15H,5-7,9H2,(H,16,19);1-4,9,11,15H,5-8,10H2.
What are the key properties of 5-bromo-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one;5-bromo-3-(1-methylsulfonylpiperidin-4-ylidene)-1H-indol-2-one;7-(1H-indol-3-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(1H-indol-3-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone?
5-bromo-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one;5-bromo-3-(1-methylsulfonylpiperidin-4-ylidene)-1H-indol-2-one;7-(1H-indol-3-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(1H-indol-3-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone has a molecular weight of 1549.55 g/mol, XLogP of 9.37, 6 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one;5-bromo-3-(1-methylsulfonylpiperidin-4-ylidene)-1H-indol-2-one;7-(1H-indol-3-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(1H-indol-3-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 160579256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).