N-[3-[4-[[4-(4-aminopiperidin-1-yl)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol;N-[3-[1-ethyl-4-[(4-methylpiperazin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline

C149H190N22O — CID 160901169

IUPACN-[3-[4-[[4-(4-aminopiperidin-1-yl)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol;N-[3-[1-ethyl-4-[(4-methylpiperazin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline
SMILESC#CC(C)(C)c1ccc(NCC#Cc2cc3c(CN4CCC(N5CCC(N)CC5)CC4)cccc3n2CC)cn1.CCn1c(C#CCNc2ccc(C)cc2)cc2c(CN3CCC(N(C)C)CC3)cccc21.CCn1c(C#CCNc2ccc(C)cc2)cc2c(CN3CCC(N4CCC(O)CC4)CC3)cccc21.CCn1c(C#CCNc2ccc(C)cc2)cc2c(CN3CCC(N4CCCC4)CC3)cccc21.CCn1c(C#CCNc2ccc(C)cc2)cc2c(CN3CCN(C)CC3)cccc21
InChIInChI=1S/C34H44N6.C31H40N4O.C30H38N4.C28H36N4.C26H32N4/c1-5-34(3,4)33-13-12-28(24-37-33)36-18-8-10-30-23-31-26(9-7-11-32(31)40(30)6-2)25-38-19-16-29(17-20-38)39-21-14-27(35)15-22-39;1-3-35-28(7-5-17-32-26-11-9-24(2)10-12-26)22-30-25(6-4-8-31(30)35)23-33-18-13-27(14-19-33)34-20-15-29(36)16-21-34;1-3-34-28(9-7-17-31-26-13-11-24(2)12-14-26)22-29-25(8-6-10-30(29)34)23-32-20-15-27(16-21-32)33-18-4-5-19-33;1-5-32-26(9-7-17-29-24-13-11-22(2)12-14-24)20-27-23(8-6-10-28(27)32)21-31-18-15-25(16-19-31)30(3)4;1-4-30-24(8-6-14-27-23-12-10-21(2)11-13-23)19-25-22(7-5-9-26(25)30)20-29-17-15-28(3)16-18-29/h1,7,9,11-13,23-24,27,29,36H,6,14-22,25,35H2,2-4H3;4,6,8-12,22,27,29,32,36H,3,13-21,23H2,1-2H3;6,8,10-14,22,27,31H,3-5,15-21,23H2,1-2H3;6,8,10-14,20,25,29H,5,15-19,21H2,1-4H3;5,7,9-13,19,27H,4,14-18,20H2,1-3H3
InChIKeySPNHYESZMQKVRF-UHFFFAOYSA-N
MW2305.31 g/mol
LogP24.31
Rot. Bonds30

About N-[3-[4-[[4-(4-aminopiperidin-1-yl)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol;N-[3-[1-ethyl-4-[(4-methylpiperazin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline

N-[3-[4-[[4-(4-aminopiperidin-1-yl)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol;N-[3-[1-ethyl-4-[(4-methylpiperazin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline (PubChem CID 160901169) has the molecular formula C149H190N22O and a molecular weight of 2305.31 g/mol. Its IUPAC name is N-[3-[4-[[4-(4-aminopiperidin-1-yl)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol;N-[3-[1-ethyl-4-[(4-methylpiperazin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline.

Molecular Properties

Compound NameN-[3-[4-[[4-(4-aminopiperidin-1-yl)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol;N-[3-[1-ethyl-4-[(4-methylpiperazin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline
PubChem CID160901169
Molecular FormulaC149H190N22O
Molecular Weight2305.31 g/mol
Exact Mass2303.55
IUPAC NameN-[3-[4-[[4-(4-aminopiperidin-1-yl)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol;N-[3-[1-ethyl-4-[(4-methylpiperazin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline
SMILESC#CC(C)(C)c1ccc(NCC#Cc2cc3c(CN4CCC(N5CCC(N)CC5)CC4)cccc3n2CC)cn1.CCn1c(C#CCNc2ccc(C)cc2)cc2c(CN3CCC(N(C)C)CC3)cccc21.CCn1c(C#CCNc2ccc(C)cc2)cc2c(CN3CCC(N4CCC(O)CC4)CC3)cccc21.CCn1c(C#CCNc2ccc(C)cc2)cc2c(CN3CCC(N4CCCC4)CC3)cccc21.CCn1c(C#CCNc2ccc(C)cc2)cc2c(CN3CCN(C)CC3)cccc21
InChIInChI=1S/C34H44N6.C31H40N4O.C30H38N4.C28H36N4.C26H32N4/c1-5-34(3,4)33-13-12-28(24-37-33)36-18-8-10-30-23-31-26(9-7-11-32(31)40(30)6-2)25-38-19-16-29(17-20-38)39-21-14-27(35)15-22-39;1-3-35-28(7-5-17-32-26-11-9-24(2)10-12-26)22-30-25(6-4-8-31(30)35)23-33-18-13-27(14-19-33)34-20-15-29(36)16-21-34;1-3-34-28(9-7-17-31-26-13-11-24(2)12-14-26)22-29-25(8-6-10-30(29)34)23-32-20-15-27(16-21-32)33-18-4-5-19-33;1-5-32-26(9-7-17-29-24-13-11-22(2)12-14-24)20-27-23(8-6-10-28(27)32)21-31-18-15-25(16-19-31)30(3)4;1-4-30-24(8-6-14-27-23-12-10-21(2)11-13-23)19-25-22(7-5-9-26(25)30)20-29-17-15-28(3)16-18-29/h1,7,9,11-13,23-24,27,29,36H,6,14-22,25,35H2,2-4H3;4,6,8-12,22,27,29,32,36H,3,13-21,23H2,1-2H3;6,8,10-14,22,27,31H,3-5,15-21,23H2,1-2H3;6,8,10-14,20,25,29H,5,15-19,21H2,1-4H3;5,7,9-13,19,27H,4,14-18,20H2,1-3H3
InChIKeySPNHYESZMQKVRF-UHFFFAOYSA-N
XLogP24.31
TPSA176.34 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds30
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002305.31
LogP ≤ 524.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze N-[3-[4-[[4-(4-aminopiperidin-1-yl)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol;N-[3-[1-ethyl-4-[(4-methylpiperazin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline with MolForge

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Related Compounds

1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-but-3-ynyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]-1H-indole;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile
CID 157098300
N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-1-methylpiperidin-4-amine;4-(1,1-difluoroethyl)-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]aniline;N-[3-[1-ethyl-4-(methylaminomethyl)indol-2-yl]prop-2-ynyl]aniline;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]piperidin-4-ol;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]indol-2-yl]prop-2-ynyl]aniline
CID 158054574
CID 141693125
CID 141693125
9-[3-carbazol-9-yl-5-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;N-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 157094027
iridium;iridium(3+);9-methyl-3-pyridin-2-ylcarbazole;pentakis(9-methyl-3-pyridin-2-yl-2H-carbazol-2-ide);pentane-2,4-diol
CID 157276613
5-[4-[(4-Pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole;9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indole;5-[4-[2-[4-[2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;8-[4-[4-[[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157362943
N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyrazin-2-ylethanamine;N,N-dimethyl-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyrazin-2-ylpropan-2-amine;1-(4-fluorophenyl)-N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanamine;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanamine
CID 157364071
1-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-4-methylpiperazine;1-[5-(1H-indol-2-yl)-3-pyridinyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]piperidin-1-yl]phenyl]-1H-indole
CID 157486596
9-[4-[4-[[4-(4-Carbazol-9-ylphenyl)-3-methylphenyl]methyl]-2-methylphenyl]phenyl]carbazole;9-[4-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]phenyl]carbazole;9-[4-[4-[[4-(4-carbazol-9-ylphenyl)phenyl]methyl]phenyl]phenyl]carbazole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;5-[4-[2-[4-[2-(4-pyrido[3,2-b]indol-5-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrido[3,2-b]indole;8-[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157509768
9-[4-Tert-butyl-3-[5-[6-(2-tert-butyl-6-carbazol-9-ylphenyl)-2-methyl-3-pyridinyl]-2-pyridinyl]phenyl]-3-methylcarbazole;9-[3-tert-butyl-2-[5-[6-(2-tert-butyl-5-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole;9-[4-tert-butyl-3-[5-[6-(2-tert-butyl-6-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]-3-methylcarbazole;9-[3-[5-[6-(4-carbazol-9-yl-2,6-dimethylphenyl)-3-pyridinyl]-6-methyl-2-pyridinyl]-2,4-dimethylphenyl]-3-phenylcarbazole
CID 157673560
9-But-3-ynyl-1,7-dimethylcarbazole;3-(1,7-dimethylcarbazol-9-yl)propan-1-ol;1,7-dimethyl-9-pent-4-ynylpyrido[3,4-b]indole;bis(5-(1,7-dimethylpyrido[3,4-b]indol-9-yl)pentan-2-amine);5-(1,7-dimethylpyrido[3,4-b]indol-9-yl)pentan-2-ylideneazanium;chloride
CID 157678608
5-[3-Methyl-4-[2-methyl-4-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;8-(3-pyridin-4-ylphenyl)-5-[4-[4-[8-(3-pyridin-4-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]phenyl]pyrido[3,2-b]indole;5-(3-pyridin-2-ylphenyl)-8-[3-[5-(3-pyridin-2-ylphenyl)pyrido[3,2-b]indol-8-yl]phenyl]pyrido[3,2-b]indole;8-(2-pyridin-3-ylphenyl)-5-[3-[8-(2-pyridin-3-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole
CID 157683587

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[[4-(4-aminopiperidin-1-yl)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol;N-[3-[1-ethyl-4-[(4-methylpiperazin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline?
The IUPAC name of N-[3-[4-[[4-(4-aminopiperidin-1-yl)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol;N-[3-[1-ethyl-4-[(4-methylpiperazin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline (CID 160901169) is N-[3-[4-[[4-(4-aminopiperidin-1-yl)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol;N-[3-[1-ethyl-4-[(4-methylpiperazin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline.
What is the SMILES notation for N-[3-[4-[[4-(4-aminopiperidin-1-yl)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol;N-[3-[1-ethyl-4-[(4-methylpiperazin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline?
The canonical SMILES for N-[3-[4-[[4-(4-aminopiperidin-1-yl)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol;N-[3-[1-ethyl-4-[(4-methylpiperazin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline is C#CC(C)(C)c1ccc(NCC#Cc2cc3c(CN4CCC(N5CCC(N)CC5)CC4)cccc3n2CC)cn1.CCn1c(C#CCNc2ccc(C)cc2)cc2c(CN3CCC(N(C)C)CC3)cccc21.CCn1c(C#CCNc2ccc(C)cc2)cc2c(CN3CCC(N4CCC(O)CC4)CC3)cccc21.CCn1c(C#CCNc2ccc(C)cc2)cc2c(CN3CCC(N4CCCC4)CC3)cccc21.CCn1c(C#CCNc2ccc(C)cc2)cc2c(CN3CCN(C)CC3)cccc21.
What is the InChIKey of N-[3-[4-[[4-(4-aminopiperidin-1-yl)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol;N-[3-[1-ethyl-4-[(4-methylpiperazin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline?
The InChIKey is SPNHYESZMQKVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N6.C31H40N4O.C30H38N4.C28H36N4.C26H32N4/c1-5-34(3,4)33-13-12-28(24-37-33)36-18-8-10-30-23-31-26(9-7-11-32(31)40(30)6-2)25-38-19-16-29(17-20-38)39-21-14-27(35)15-22-39;1-3-35-28(7-5-17-32-26-11-9-24(2)10-12-26)22-30-25(6-4-8-31(30)35)23-33-18-13-27(14-19-33)34-20-15-29(36)16-21-34;1-3-34-28(9-7-17-31-26-13-11-24(2)12-14-26)22-29-25(8-6-10-30(29)34)23-32-20-15-27(16-21-32)33-18-4-5-19-33;1-5-32-26(9-7-17-29-24-13-11-22(2)12-14-24)20-27-23(8-6-10-28(27)32)21-31-18-15-25(16-19-31)30(3)4;1-4-30-24(8-6-14-27-23-12-10-21(2)11-13-23)19-25-22(7-5-9-26(25)30)20-29-17-15-28(3)16-18-29/h1,7,9,11-13,23-24,27,29,36H,6,14-22,25,35H2,2-4H3;4,6,8-12,22,27,29,32,36H,3,13-21,23H2,1-2H3;6,8,10-14,22,27,31H,3-5,15-21,23H2,1-2H3;6,8,10-14,20,25,29H,5,15-19,21H2,1-4H3;5,7,9-13,19,27H,4,14-18,20H2,1-3H3.
What are the key properties of N-[3-[4-[[4-(4-aminopiperidin-1-yl)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol;N-[3-[1-ethyl-4-[(4-methylpiperazin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline?
N-[3-[4-[[4-(4-aminopiperidin-1-yl)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol;N-[3-[1-ethyl-4-[(4-methylpiperazin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline has a molecular weight of 2305.31 g/mol, XLogP of 24.31, 30 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[[4-(4-aminopiperidin-1-yl)piperidin-1-yl]methyl]-1-ethylindol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol;N-[3-[1-ethyl-4-[(4-methylpiperazin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]indol-2-yl]prop-2-ynyl]-4-methylaniline is sourced from PubChem (CID 160901169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).