N-tert-butyl-2-[5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-5-sulfonamide;1-methyl-N-[1-[5-(3-methyl-1H-indol-2-yl)-3-pyridinyl]piperidin-4-yl]piperidin-4-amine;N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]-1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]piperidin-4-amine;1-[5-(5-methylsulfonyl-1H-indol-2-yl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine

C140H193F5N26O6S4 — CID 159388176

IUPACN-tert-butyl-2-[5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-5-sulfonamide;1-methyl-N-[1-[5-(3-methyl-1H-indol-2-yl)-3-pyridinyl]piperidin-4-yl]piperidin-4-amine;N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]-1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]piperidin-4-amine;1-[5-(5-methylsulfonyl-1H-indol-2-yl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
SMILESCC(C)N1CCC(NC2CCN(c3cncc(-c4cc5cc(S(=O)(=O)NC(C)(C)C)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCC(NC2CCN(c3cncc(-c4cc5cc(S(C)(=O)=O)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(S(F)(F)(F)(F)F)ccc5[nH]4)c3)CC2)CC1.CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(S(C)(=O)=O)ccc6[nH]5)c4)CC3)CCC2)CC1.Cc1c(-c2cncc(N3CCC(NC4CCN(C)CC4)CC3)c2)[nH]c2ccccc12
InChIInChI=1S/C30H44N6O2S.C30H41N5O2S.C28H38F5N5S.C27H37N5O2S.C25H33N5/c1-21(2)35-12-8-24(9-13-35)32-25-10-14-36(15-11-25)26-16-23(19-31-20-26)29-18-22-17-27(6-7-28(22)33-29)39(37,38)34-30(3,4)5;1-33-15-17-35(18-16-33)30(11-4-12-30)22-31-25-9-13-34(14-10-25)26-6-3-5-23(19-26)29-21-24-20-27(38(2,36)37)7-8-28(24)32-29;1-21(2)37-16-14-36(15-17-37)13-10-34-24-8-11-38(12-9-24)25-5-3-4-22(18-25)28-20-23-19-26(6-7-27(23)35-28)39(29,30,31,32)33;1-19(2)31-10-6-22(7-11-31)29-23-8-12-32(13-9-23)24-14-21(17-28-18-24)27-16-20-15-25(35(3,33)34)4-5-26(20)30-27;1-18-23-5-3-4-6-24(23)28-25(18)19-15-22(17-26-16-19)30-13-9-21(10-14-30)27-20-7-11-29(2)12-8-20/h6-7,16-21,24-25,32-34H,8-15H2,1-5H3;3,5-8,19-21,25,31-32H,4,9-18,22H2,1-2H3;3-7,18-21,24,34-35H,8-17H2,1-2H3;4-5,14-19,22-23,29-30H,6-13H2,1-3H3;3-6,15-17,20-21,27-28H,7-14H2,1-2H3
InChIKeyLLTRPKSHIVHNED-UHFFFAOYSA-N
MW2559.52 g/mol
LogP24.04
Rot. Bonds32

About N-tert-butyl-2-[5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-5-sulfonamide;1-methyl-N-[1-[5-(3-methyl-1H-indol-2-yl)-3-pyridinyl]piperidin-4-yl]piperidin-4-amine;N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]-1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]piperidin-4-amine;1-[5-(5-methylsulfonyl-1H-indol-2-yl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine

N-tert-butyl-2-[5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-5-sulfonamide;1-methyl-N-[1-[5-(3-methyl-1H-indol-2-yl)-3-pyridinyl]piperidin-4-yl]piperidin-4-amine;N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]-1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]piperidin-4-amine;1-[5-(5-methylsulfonyl-1H-indol-2-yl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine (PubChem CID 159388176) has the molecular formula C140H193F5N26O6S4 and a molecular weight of 2559.52 g/mol. Its IUPAC name is N-tert-butyl-2-[5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-5-sulfonamide;1-methyl-N-[1-[5-(3-methyl-1H-indol-2-yl)-3-pyridinyl]piperidin-4-yl]piperidin-4-amine;N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]-1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]piperidin-4-amine;1-[5-(5-methylsulfonyl-1H-indol-2-yl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-5-sulfonamide;1-methyl-N-[1-[5-(3-methyl-1H-indol-2-yl)-3-pyridinyl]piperidin-4-yl]piperidin-4-amine;N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]-1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]piperidin-4-amine;1-[5-(5-methylsulfonyl-1H-indol-2-yl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
PubChem CID159388176
Molecular FormulaC140H193F5N26O6S4
Molecular Weight2559.52 g/mol
Exact Mass2557.44
IUPAC NameN-tert-butyl-2-[5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-5-sulfonamide;1-methyl-N-[1-[5-(3-methyl-1H-indol-2-yl)-3-pyridinyl]piperidin-4-yl]piperidin-4-amine;N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]-1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]piperidin-4-amine;1-[5-(5-methylsulfonyl-1H-indol-2-yl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
SMILESCC(C)N1CCC(NC2CCN(c3cncc(-c4cc5cc(S(=O)(=O)NC(C)(C)C)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCC(NC2CCN(c3cncc(-c4cc5cc(S(C)(=O)=O)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(S(F)(F)(F)(F)F)ccc5[nH]4)c3)CC2)CC1.CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(S(C)(=O)=O)ccc6[nH]5)c4)CC3)CCC2)CC1.Cc1c(-c2cncc(N3CCC(NC4CCN(C)CC4)CC3)c2)[nH]c2ccccc12
InChIInChI=1S/C30H44N6O2S.C30H41N5O2S.C28H38F5N5S.C27H37N5O2S.C25H33N5/c1-21(2)35-12-8-24(9-13-35)32-25-10-14-36(15-11-25)26-16-23(19-31-20-26)29-18-22-17-27(6-7-28(22)33-29)39(37,38)34-30(3,4)5;1-33-15-17-35(18-16-33)30(11-4-12-30)22-31-25-9-13-34(14-10-25)26-6-3-5-23(19-26)29-21-24-20-27(38(2,36)37)7-8-28(24)32-29;1-21(2)37-16-14-36(15-17-37)13-10-34-24-8-11-38(12-9-24)25-5-3-4-22(18-25)28-20-23-19-26(6-7-27(23)35-28)39(29,30,31,32)33;1-19(2)31-10-6-22(7-11-31)29-23-8-12-32(13-9-23)24-14-21(17-28-18-24)27-16-20-15-25(35(3,33)34)4-5-26(20)30-27;1-18-23-5-3-4-6-24(23)28-25(18)19-15-22(17-26-16-19)30-13-9-21(10-14-30)27-20-7-11-29(2)12-8-20/h6-7,16-21,24-25,32-34H,8-15H2,1-5H3;3,5-8,19-21,25,31-32H,4,9-18,22H2,1-2H3;3-7,18-21,24,34-35H,8-17H2,1-2H3;4-5,14-19,22-23,29-30H,6-13H2,1-3H3;3-6,15-17,20-21,27-28H,7-14H2,1-2H3
InChIKeyLLTRPKSHIVHNED-UHFFFAOYSA-N
XLogP24.04
TPSA331.10 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds32
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002559.52
LogP ≤ 524.04
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Analyze N-tert-butyl-2-[5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-5-sulfonamide;1-methyl-N-[1-[5-(3-methyl-1H-indol-2-yl)-3-pyridinyl]piperidin-4-yl]piperidin-4-amine;N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]-1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]piperidin-4-amine;1-[5-(5-methylsulfonyl-1H-indol-2-yl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine with MolForge

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Related Compounds

1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-[(1S)-2,2,2-trifluoro-1-phenylethyl]piperazin-1-yl]ethyl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-inden-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-lambda6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 158518793
6-(3-cyano-1-cyclobutyl-6-fluoroindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-6-fluoroindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-6-fluoroindol-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-fluoro-1-propylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-6-methyl-2-[5-[(2R)-3,3,3-trifluoro-2-methylpropyl]sulfonyl-2-pyridinyl]indole-3-carbonitrile
CID 159021042
benzyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-lambda6-sulfane;3-[1-(1,1-difluoroethylsulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;N-[[4-(1H-indol-3-yl)piperazin-1-yl]-methylidene-oxo-lambda6-sulfanyl]methanamine
CID 159495100
3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;3-[1-(1,1-difluoroethylsulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;N-[[4-(1H-indol-3-yl)piperazin-1-yl]-methylidene-oxo-lambda6-sulfanyl]methanamine
CID 160538619
1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;1-methyl-N-[1-[3-(3-methyl-1H-indol-2-yl)phenyl]piperidin-4-yl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-lambda6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2,2,2-trifluoroethylbenzene
CID 164984742
1-[4-[2-[2-[2-(3,3-difluoropyrrolidin-1-yl)-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]azetidin-1-yl]sulfonyl-2-(1H-indol-2-yl)phenyl]pyrrolidin-3-amine
CID 168940729
4-[3-(cyanoamino)pyrrolidin-1-yl]-N-[2-[4-[4-(3,3-difluoropyrrolidin-1-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)phenyl]sulfonylpiperazin-1-yl]ethyl]-3-(1H-indol-2-yl)-N-methylbenzenesulfonamide
CID 168940833
3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)indole;tris(3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-N-piperidin-4-ylindol-4-amine)
CID 158155274
2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1-(4-methylphenyl)sulfonylindole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;methane
CID 158485571
N-(1-benzothiophen-5-yl)-N-[(3-methylsulfonylphenyl)methyl]piperidin-4-amine;3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzenesulfonamide;3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide;N-[3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]phenyl]methanesulfonamide;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide
CID 158937845
3-[4-(amino-methylidene-oxo-lambda6-sulfanyl)piperazin-1-yl]-1H-indole;3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;3-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;3-(3-ethynyl-4-methylsulfonylpiperazin-1-yl)-1H-indole
CID 159147857
3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;6-fluoro-3-(1-phenylpiperidin-4-yl)-1H-indole;6-fluoro-3-(1-pyridin-4-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;3-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indole
CID 159284993

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-5-sulfonamide;1-methyl-N-[1-[5-(3-methyl-1H-indol-2-yl)-3-pyridinyl]piperidin-4-yl]piperidin-4-amine;N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]-1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]piperidin-4-amine;1-[5-(5-methylsulfonyl-1H-indol-2-yl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of N-tert-butyl-2-[5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-5-sulfonamide;1-methyl-N-[1-[5-(3-methyl-1H-indol-2-yl)-3-pyridinyl]piperidin-4-yl]piperidin-4-amine;N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]-1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]piperidin-4-amine;1-[5-(5-methylsulfonyl-1H-indol-2-yl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine (CID 159388176) is N-tert-butyl-2-[5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-5-sulfonamide;1-methyl-N-[1-[5-(3-methyl-1H-indol-2-yl)-3-pyridinyl]piperidin-4-yl]piperidin-4-amine;N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]-1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]piperidin-4-amine;1-[5-(5-methylsulfonyl-1H-indol-2-yl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-tert-butyl-2-[5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-5-sulfonamide;1-methyl-N-[1-[5-(3-methyl-1H-indol-2-yl)-3-pyridinyl]piperidin-4-yl]piperidin-4-amine;N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]-1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]piperidin-4-amine;1-[5-(5-methylsulfonyl-1H-indol-2-yl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N-tert-butyl-2-[5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-5-sulfonamide;1-methyl-N-[1-[5-(3-methyl-1H-indol-2-yl)-3-pyridinyl]piperidin-4-yl]piperidin-4-amine;N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]-1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]piperidin-4-amine;1-[5-(5-methylsulfonyl-1H-indol-2-yl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine is CC(C)N1CCC(NC2CCN(c3cncc(-c4cc5cc(S(=O)(=O)NC(C)(C)C)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCC(NC2CCN(c3cncc(-c4cc5cc(S(C)(=O)=O)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(S(F)(F)(F)(F)F)ccc5[nH]4)c3)CC2)CC1.CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(S(C)(=O)=O)ccc6[nH]5)c4)CC3)CCC2)CC1.Cc1c(-c2cncc(N3CCC(NC4CCN(C)CC4)CC3)c2)[nH]c2ccccc12.
What is the InChIKey of N-tert-butyl-2-[5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-5-sulfonamide;1-methyl-N-[1-[5-(3-methyl-1H-indol-2-yl)-3-pyridinyl]piperidin-4-yl]piperidin-4-amine;N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]-1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]piperidin-4-amine;1-[5-(5-methylsulfonyl-1H-indol-2-yl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine?
The InChIKey is LLTRPKSHIVHNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N6O2S.C30H41N5O2S.C28H38F5N5S.C27H37N5O2S.C25H33N5/c1-21(2)35-12-8-24(9-13-35)32-25-10-14-36(15-11-25)26-16-23(19-31-20-26)29-18-22-17-27(6-7-28(22)33-29)39(37,38)34-30(3,4)5;1-33-15-17-35(18-16-33)30(11-4-12-30)22-31-25-9-13-34(14-10-25)26-6-3-5-23(19-26)29-21-24-20-27(38(2,36)37)7-8-28(24)32-29;1-21(2)37-16-14-36(15-17-37)13-10-34-24-8-11-38(12-9-24)25-5-3-4-22(18-25)28-20-23-19-26(6-7-27(23)35-28)39(29,30,31,32)33;1-19(2)31-10-6-22(7-11-31)29-23-8-12-32(13-9-23)24-14-21(17-28-18-24)27-16-20-15-25(35(3,33)34)4-5-26(20)30-27;1-18-23-5-3-4-6-24(23)28-25(18)19-15-22(17-26-16-19)30-13-9-21(10-14-30)27-20-7-11-29(2)12-8-20/h6-7,16-21,24-25,32-34H,8-15H2,1-5H3;3,5-8,19-21,25,31-32H,4,9-18,22H2,1-2H3;3-7,18-21,24,34-35H,8-17H2,1-2H3;4-5,14-19,22-23,29-30H,6-13H2,1-3H3;3-6,15-17,20-21,27-28H,7-14H2,1-2H3.
What are the key properties of N-tert-butyl-2-[5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-5-sulfonamide;1-methyl-N-[1-[5-(3-methyl-1H-indol-2-yl)-3-pyridinyl]piperidin-4-yl]piperidin-4-amine;N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]-1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]piperidin-4-amine;1-[5-(5-methylsulfonyl-1H-indol-2-yl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine?
N-tert-butyl-2-[5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-5-sulfonamide;1-methyl-N-[1-[5-(3-methyl-1H-indol-2-yl)-3-pyridinyl]piperidin-4-yl]piperidin-4-amine;N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]-1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]piperidin-4-amine;1-[5-(5-methylsulfonyl-1H-indol-2-yl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine has a molecular weight of 2559.52 g/mol, XLogP of 24.04, 32 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-5-sulfonamide;1-methyl-N-[1-[5-(3-methyl-1H-indol-2-yl)-3-pyridinyl]piperidin-4-yl]piperidin-4-amine;N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]-1-[3-(5-methylsulfonyl-1H-indol-2-yl)phenyl]piperidin-4-amine;1-[5-(5-methylsulfonyl-1H-indol-2-yl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 159388176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).