3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;5-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-methyl-1,2,4-oxadiazole;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one

C61H73F2N13O7S2 — CID 159931103

IUPAC3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;5-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-methyl-1,2,4-oxadiazole;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one
SMILESCC1CN(c2c[nH]c3ccccc23)CCN1S(C)(=O)=O.Cc1ccc2c(c1)C(C1CCN(S(C)(=O)=O)CC1)C(=O)N2.Cc1nc(N2CCC(c3c[nH]c4cc(F)ccc34)CC2)no1.Cc1noc(N2CCC(c3c[nH]c4cc(F)ccc34)CC2)n1
InChIInChI=1S/2C16H17FN4O.C15H20N2O3S.C14H19N3O2S/c1-10-19-16(20-22-10)21-6-4-11(5-7-21)14-9-18-15-8-12(17)2-3-13(14)15;1-10-19-16(22-20-10)21-6-4-11(5-7-21)14-9-18-15-8-12(17)2-3-13(14)15;1-10-3-4-13-12(9-10)14(15(18)16-13)11-5-7-17(8-6-11)21(2,19)20;1-11-10-16(7-8-17(11)20(2,18)19)14-9-15-13-6-4-3-5-12(13)14/h2*2-3,8-9,11,18H,4-7H2,1H3;3-4,9,11,14H,5-8H2,1-2H3,(H,16,18);3-6,9,11,15H,7-8,10H2,1-2H3
InChIKeyNZQMEIAFWDXXTO-UHFFFAOYSA-N
MW1202.47 g/mol
LogP10.11
Rot. Bonds8

About 3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;5-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-methyl-1,2,4-oxadiazole;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one

3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;5-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-methyl-1,2,4-oxadiazole;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one (PubChem CID 159931103) has the molecular formula C61H73F2N13O7S2 and a molecular weight of 1202.47 g/mol. Its IUPAC name is 3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;5-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-methyl-1,2,4-oxadiazole;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;5-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-methyl-1,2,4-oxadiazole;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one
PubChem CID159931103
Molecular FormulaC61H73F2N13O7S2
Molecular Weight1202.47 g/mol
Exact Mass1201.52
IUPAC Name3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;5-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-methyl-1,2,4-oxadiazole;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one
SMILESCC1CN(c2c[nH]c3ccccc23)CCN1S(C)(=O)=O.Cc1ccc2c(c1)C(C1CCN(S(C)(=O)=O)CC1)C(=O)N2.Cc1nc(N2CCC(c3c[nH]c4cc(F)ccc34)CC2)no1.Cc1noc(N2CCC(c3c[nH]c4cc(F)ccc34)CC2)n1
InChIInChI=1S/2C16H17FN4O.C15H20N2O3S.C14H19N3O2S/c1-10-19-16(20-22-10)21-6-4-11(5-7-21)14-9-18-15-8-12(17)2-3-13(14)15;1-10-19-16(22-20-10)21-6-4-11(5-7-21)14-9-18-15-8-12(17)2-3-13(14)15;1-10-3-4-13-12(9-10)14(15(18)16-13)11-5-7-17(8-6-11)21(2,19)20;1-11-10-16(7-8-17(11)20(2,18)19)14-9-15-13-6-4-3-5-12(13)14/h2*2-3,8-9,11,18H,4-7H2,1H3;3-4,9,11,14H,5-8H2,1-2H3,(H,16,18);3-6,9,11,15H,7-8,10H2,1-2H3
InChIKeyNZQMEIAFWDXXTO-UHFFFAOYSA-N
XLogP10.11
TPSA238.79 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001202.47
LogP ≤ 510.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;5-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-methyl-1,2,4-oxadiazole;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one with MolForge

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Related Compounds

4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]cyclohexane-1-carboxamide;3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 157650926
8-(6-chloro-1H-indol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indole;2-methyl-5-[6-(trifluoromethyl)-1H-indol-4-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 157942579
5-(2-azido-2-pyridin-4-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(2-azido-2-pyridin-4-ylethyl)-4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-(2-azido-2-pyridin-3-ylpropyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 158469213
6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 159134273
N-ethyl-2-methyl-8-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide;[2-methyl-5-(3-methylimidazol-3-ium-1-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;trifluoromethanesulfonate
CID 159458287
1-acetyl-4-(1H-indol-3-yl)piperazine-2-carbonitrile;6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-2-oxo-1,3-dihydroindole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 159699842
1-acetyl-4-(1H-indol-3-yl)piperazine-2-carbonitrile;6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2-oxo-1,3-dihydroindole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one;4-(2-oxo-1,3-dihydroindol-3-yl)piperazine-1-sulfonamide
CID 160496855
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]cyclohexane-1-carboxamide;3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-(1-propylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 162079237
3-[4-[(3R)-3-[4-[1-[2-fluoro-4-[[4-[(1-methylsulfonyl-2,3-dihydroindol-7-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-yl]piperazine-1-carbonyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione
CID 167026695
3-[4-[(3R)-3-[[4-[1-[2-fluoro-4-[[4-[(1-methylsulfonyl-2,3-dihydroindol-7-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-yl]piperazin-1-yl]methyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione
CID 167026709
3-[4-[(3R)-3-[2-[4-[1-[2-fluoro-4-[[4-[(1-methylsulfonyl-2,3-dihydroindol-7-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-yl]piperazin-1-yl]ethyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione
CID 167027130
3-[4-[(3S)-3-[2-[4-[1-[2-fluoro-4-[[4-[(1-methylsulfonyl-2,3-dihydroindol-7-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-yl]piperazin-1-yl]ethyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione
CID 169099824

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;5-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-methyl-1,2,4-oxadiazole;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;5-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-methyl-1,2,4-oxadiazole;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one (CID 159931103) is 3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;5-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-methyl-1,2,4-oxadiazole;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;5-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-methyl-1,2,4-oxadiazole;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;5-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-methyl-1,2,4-oxadiazole;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one is CC1CN(c2c[nH]c3ccccc23)CCN1S(C)(=O)=O.Cc1ccc2c(c1)C(C1CCN(S(C)(=O)=O)CC1)C(=O)N2.Cc1nc(N2CCC(c3c[nH]c4cc(F)ccc34)CC2)no1.Cc1noc(N2CCC(c3c[nH]c4cc(F)ccc34)CC2)n1.
What is the InChIKey of 3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;5-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-methyl-1,2,4-oxadiazole;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one?
The InChIKey is NZQMEIAFWDXXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H17FN4O.C15H20N2O3S.C14H19N3O2S/c1-10-19-16(20-22-10)21-6-4-11(5-7-21)14-9-18-15-8-12(17)2-3-13(14)15;1-10-19-16(22-20-10)21-6-4-11(5-7-21)14-9-18-15-8-12(17)2-3-13(14)15;1-10-3-4-13-12(9-10)14(15(18)16-13)11-5-7-17(8-6-11)21(2,19)20;1-11-10-16(7-8-17(11)20(2,18)19)14-9-15-13-6-4-3-5-12(13)14/h2*2-3,8-9,11,18H,4-7H2,1H3;3-4,9,11,14H,5-8H2,1-2H3,(H,16,18);3-6,9,11,15H,7-8,10H2,1-2H3.
What are the key properties of 3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;5-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-methyl-1,2,4-oxadiazole;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one?
3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;5-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-methyl-1,2,4-oxadiazole;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one has a molecular weight of 1202.47 g/mol, XLogP of 10.11, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;5-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-methyl-1,2,4-oxadiazole;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 159931103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).