3-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;1-[4-(6-fluoro-1H-indol-3-yl)-2,2-dimethylpiperidin-1-yl]ethanone;7-(1H-indol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-(1H-indol-3-yl)-1-methylsulfonylpiperazine-2-carbonitrile;[4-(1H-indol-3-yl)-1-methylsulfonylpiperazin-2-yl]methanamine

C74H91F2N17O7S3 — CID 158118322

IUPAC3-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;1-[4-(6-fluoro-1H-indol-3-yl)-2,2-dimethylpiperidin-1-yl]ethanone;7-(1H-indol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-(1H-indol-3-yl)-1-methylsulfonylpiperazine-2-carbonitrile;[4-(1H-indol-3-yl)-1-methylsulfonylpiperazin-2-yl]methanamine
SMILESCC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1(C)C.CC1(C)CC(c2c[nH]c3cc(F)ccc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCN(c2c[nH]c3ccccc23)CC1C#N.CS(=O)(=O)N1CCN(c2c[nH]c3ccccc23)CC1CN.c1ccc2c(N3CCn4ncnc4C3)c[nH]c2c1
InChIInChI=1S/C17H21FN2O.C16H21FN2O2S.C14H20N4O2S.C14H16N4O2S.C13H13N5/c1-11(21)20-7-6-12(9-17(20,2)3)15-10-19-16-8-13(18)4-5-14(15)16;1-16(2)9-11(6-7-19(16)22(3,20)21)14-10-18-15-8-12(17)4-5-13(14)15;2*1-21(19,20)18-7-6-17(10-11(18)8-15)14-9-16-13-5-3-2-4-12(13)14;1-2-4-11-10(3-1)12(7-14-11)17-5-6-18-13(8-17)15-9-16-18/h4-5,8,10,12,19H,6-7,9H2,1-3H3;4-5,8,10-11,18H,6-7,9H2,1-3H3;2-5,9,11,16H,6-8,10,15H2,1H3;2-5,9,11,16H,6-7,10H2,1H3;1-4,7,9,14H,5-6,8H2
InChIKeyFRHJLEVIKJYUNK-UHFFFAOYSA-N
MW1464.85 g/mol
LogP10.53
Rot. Bonds9

About 3-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;1-[4-(6-fluoro-1H-indol-3-yl)-2,2-dimethylpiperidin-1-yl]ethanone;7-(1H-indol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-(1H-indol-3-yl)-1-methylsulfonylpiperazine-2-carbonitrile;[4-(1H-indol-3-yl)-1-methylsulfonylpiperazin-2-yl]methanamine

3-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;1-[4-(6-fluoro-1H-indol-3-yl)-2,2-dimethylpiperidin-1-yl]ethanone;7-(1H-indol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-(1H-indol-3-yl)-1-methylsulfonylpiperazine-2-carbonitrile;[4-(1H-indol-3-yl)-1-methylsulfonylpiperazin-2-yl]methanamine (PubChem CID 158118322) has the molecular formula C74H91F2N17O7S3 and a molecular weight of 1464.85 g/mol. Its IUPAC name is 3-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;1-[4-(6-fluoro-1H-indol-3-yl)-2,2-dimethylpiperidin-1-yl]ethanone;7-(1H-indol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-(1H-indol-3-yl)-1-methylsulfonylpiperazine-2-carbonitrile;[4-(1H-indol-3-yl)-1-methylsulfonylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name3-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;1-[4-(6-fluoro-1H-indol-3-yl)-2,2-dimethylpiperidin-1-yl]ethanone;7-(1H-indol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-(1H-indol-3-yl)-1-methylsulfonylpiperazine-2-carbonitrile;[4-(1H-indol-3-yl)-1-methylsulfonylpiperazin-2-yl]methanamine
PubChem CID158118322
Molecular FormulaC74H91F2N17O7S3
Molecular Weight1464.85 g/mol
Exact Mass1463.64
IUPAC Name3-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;1-[4-(6-fluoro-1H-indol-3-yl)-2,2-dimethylpiperidin-1-yl]ethanone;7-(1H-indol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-(1H-indol-3-yl)-1-methylsulfonylpiperazine-2-carbonitrile;[4-(1H-indol-3-yl)-1-methylsulfonylpiperazin-2-yl]methanamine
SMILESCC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1(C)C.CC1(C)CC(c2c[nH]c3cc(F)ccc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCN(c2c[nH]c3ccccc23)CC1C#N.CS(=O)(=O)N1CCN(c2c[nH]c3ccccc23)CC1CN.c1ccc2c(N3CCn4ncnc4C3)c[nH]c2c1
InChIInChI=1S/C17H21FN2O.C16H21FN2O2S.C14H20N4O2S.C14H16N4O2S.C13H13N5/c1-11(21)20-7-6-12(9-17(20,2)3)15-10-19-16-8-13(18)4-5-14(15)16;1-16(2)9-11(6-7-19(16)22(3,20)21)14-10-18-15-8-12(17)4-5-13(14)15;2*1-21(19,20)18-7-6-17(10-11(18)8-15)14-9-16-13-5-3-2-4-12(13)14;1-2-4-11-10(3-1)12(7-14-11)17-5-6-18-13(8-17)15-9-16-18/h4-5,8,10,12,19H,6-7,9H2,1-3H3;4-5,8,10-11,18H,6-7,9H2,1-3H3;2-5,9,11,16H,6-8,10,15H2,1H3;2-5,9,11,16H,6-7,10H2,1H3;1-4,7,9,14H,5-6,8H2
InChIKeyFRHJLEVIKJYUNK-UHFFFAOYSA-N
XLogP10.53
TPSA301.64 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001464.85
LogP ≤ 510.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 3-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;1-[4-(6-fluoro-1H-indol-3-yl)-2,2-dimethylpiperidin-1-yl]ethanone;7-(1H-indol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-(1H-indol-3-yl)-1-methylsulfonylpiperazine-2-carbonitrile;[4-(1H-indol-3-yl)-1-methylsulfonylpiperazin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-fluoro-5-[2-[5-[5-[[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]phenyl]methyl]methanesulfonamide
CID 137117819
N-[[3-fluoro-5-[7-[3-[[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]cyclohexyl]-2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-benzimidazol-4-yl]phenyl]methyl]methanesulfonamide
CID 139418237
CID 157327219
CID 157327219
N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide;N-[3-[3-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-(1-methylpyrazol-4-yl)-5-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 157424870
3-[6-(3a,7a-dihydro-1H-indol-6-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-lambda6-sulfane;3-(2-phenyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-(4-pyrazolo[1,5-a]pyrimidin-3-yl-2-pyridinyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 157452934
6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(1H-indol-3-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone
CID 157598311
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
N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-4,5-difluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2,4-triazole-3-carboxamide
CID 158743830
4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-2-one;N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide;1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one;6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 159054750
(Z)-1-[amino(1-azabicyclo[2.2.2]octan-3-yl)amino]-3,3-dimethylbut-1-en-2-amine;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;4-(4-tert-butyltriazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine
CID 159313668
CID 159523928
CID 159523928
[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carbonitrile;N-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 159635401

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;1-[4-(6-fluoro-1H-indol-3-yl)-2,2-dimethylpiperidin-1-yl]ethanone;7-(1H-indol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-(1H-indol-3-yl)-1-methylsulfonylpiperazine-2-carbonitrile;[4-(1H-indol-3-yl)-1-methylsulfonylpiperazin-2-yl]methanamine?
The IUPAC name of 3-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;1-[4-(6-fluoro-1H-indol-3-yl)-2,2-dimethylpiperidin-1-yl]ethanone;7-(1H-indol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-(1H-indol-3-yl)-1-methylsulfonylpiperazine-2-carbonitrile;[4-(1H-indol-3-yl)-1-methylsulfonylpiperazin-2-yl]methanamine (CID 158118322) is 3-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;1-[4-(6-fluoro-1H-indol-3-yl)-2,2-dimethylpiperidin-1-yl]ethanone;7-(1H-indol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-(1H-indol-3-yl)-1-methylsulfonylpiperazine-2-carbonitrile;[4-(1H-indol-3-yl)-1-methylsulfonylpiperazin-2-yl]methanamine.
What is the SMILES notation for 3-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;1-[4-(6-fluoro-1H-indol-3-yl)-2,2-dimethylpiperidin-1-yl]ethanone;7-(1H-indol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-(1H-indol-3-yl)-1-methylsulfonylpiperazine-2-carbonitrile;[4-(1H-indol-3-yl)-1-methylsulfonylpiperazin-2-yl]methanamine?
The canonical SMILES for 3-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;1-[4-(6-fluoro-1H-indol-3-yl)-2,2-dimethylpiperidin-1-yl]ethanone;7-(1H-indol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-(1H-indol-3-yl)-1-methylsulfonylpiperazine-2-carbonitrile;[4-(1H-indol-3-yl)-1-methylsulfonylpiperazin-2-yl]methanamine is CC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1(C)C.CC1(C)CC(c2c[nH]c3cc(F)ccc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCN(c2c[nH]c3ccccc23)CC1C#N.CS(=O)(=O)N1CCN(c2c[nH]c3ccccc23)CC1CN.c1ccc2c(N3CCn4ncnc4C3)c[nH]c2c1.
What is the InChIKey of 3-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;1-[4-(6-fluoro-1H-indol-3-yl)-2,2-dimethylpiperidin-1-yl]ethanone;7-(1H-indol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-(1H-indol-3-yl)-1-methylsulfonylpiperazine-2-carbonitrile;[4-(1H-indol-3-yl)-1-methylsulfonylpiperazin-2-yl]methanamine?
The InChIKey is FRHJLEVIKJYUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O.C16H21FN2O2S.C14H20N4O2S.C14H16N4O2S.C13H13N5/c1-11(21)20-7-6-12(9-17(20,2)3)15-10-19-16-8-13(18)4-5-14(15)16;1-16(2)9-11(6-7-19(16)22(3,20)21)14-10-18-15-8-12(17)4-5-13(14)15;2*1-21(19,20)18-7-6-17(10-11(18)8-15)14-9-16-13-5-3-2-4-12(13)14;1-2-4-11-10(3-1)12(7-14-11)17-5-6-18-13(8-17)15-9-16-18/h4-5,8,10,12,19H,6-7,9H2,1-3H3;4-5,8,10-11,18H,6-7,9H2,1-3H3;2-5,9,11,16H,6-8,10,15H2,1H3;2-5,9,11,16H,6-7,10H2,1H3;1-4,7,9,14H,5-6,8H2.
What are the key properties of 3-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;1-[4-(6-fluoro-1H-indol-3-yl)-2,2-dimethylpiperidin-1-yl]ethanone;7-(1H-indol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-(1H-indol-3-yl)-1-methylsulfonylpiperazine-2-carbonitrile;[4-(1H-indol-3-yl)-1-methylsulfonylpiperazin-2-yl]methanamine?
3-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;1-[4-(6-fluoro-1H-indol-3-yl)-2,2-dimethylpiperidin-1-yl]ethanone;7-(1H-indol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-(1H-indol-3-yl)-1-methylsulfonylpiperazine-2-carbonitrile;[4-(1H-indol-3-yl)-1-methylsulfonylpiperazin-2-yl]methanamine has a molecular weight of 1464.85 g/mol, XLogP of 10.53, 9 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;1-[4-(6-fluoro-1H-indol-3-yl)-2,2-dimethylpiperidin-1-yl]ethanone;7-(1H-indol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-(1H-indol-3-yl)-1-methylsulfonylpiperazine-2-carbonitrile;[4-(1H-indol-3-yl)-1-methylsulfonylpiperazin-2-yl]methanamine is sourced from PubChem (CID 158118322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).