N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-1-methylpiperidin-4-amine;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridine-3-carboxamide;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-[4-[2-[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]ethyl]piperidin-1-yl]ethanone;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

C213H255F2N25O4 — CID 158204084

IUPACN-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-1-methylpiperidin-4-amine;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridine-3-carboxamide;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-[4-[2-[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]ethyl]piperidin-1-yl]ethanone;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
SMILESCCCc1ccc2c(c1)cc(C#CCNc1ccc(C(C)(F)F)cc1)n2CC.CCn1c(C#CCNC(=O)c2ccc(C(C)(C)C)nc2)cc2cc(CCC3CCN(C)CC3)ccc21.CCn1c(C#CCNc2ccc(C)cc2)cc2c(CN3CCC(O)CC3)cccc21.CCn1c(C#CCNc2ccc(C)cc2)cc2cc(CCC3CCN(C(C)=O)CC3)ccc21.CCn1c(C#CCNc2ccc(C)cc2)cc2cc(CCC3CCOCC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2c(CN3CCC(N4CCCC4)CC3)cccc21.CCn1c(C#CCNc2ccccc2)cc2c(CNC)cccc21.CCn1c(C#CCNc2ccccc2)cc2c(CNC3CCN(C)CC3)cccc21
InChIInChI=1S/C31H40N4O.C29H36N4.C29H35N3O.C27H32N2O.C26H32N4.C26H31N3O.C24H26F2N2.C21H23N3/c1-6-35-27(8-7-17-32-30(36)25-12-14-29(33-22-25)31(2,3)4)21-26-20-24(11-13-28(26)35)10-9-23-15-18-34(5)19-16-23;1-2-33-27(13-9-17-30-25-11-4-3-5-12-25)22-28-24(10-8-14-29(28)33)23-31-20-15-26(16-21-31)32-18-6-7-19-32;1-4-32-28(6-5-17-30-27-12-7-22(2)8-13-27)21-26-20-25(11-14-29(26)32)10-9-24-15-18-31(19-16-24)23(3)33;1-3-29-26(5-4-16-28-25-11-6-21(2)7-12-25)20-24-19-23(10-13-27(24)29)9-8-22-14-17-30-18-15-22;1-3-30-24(12-8-16-27-22-10-5-4-6-11-22)19-25-21(9-7-13-26(25)30)20-28-23-14-17-29(2)18-15-23;1-3-29-23(7-5-15-27-22-11-9-20(2)10-12-22)18-25-21(6-4-8-26(25)29)19-28-16-13-24(30)14-17-28;1-4-7-18-9-14-23-19(16-18)17-22(28(23)5-2)8-6-15-27-21-12-10-20(11-13-21)24(3,25)26;1-3-24-19(12-8-14-23-18-10-5-4-6-11-18)15-20-17(16-22-2)9-7-13-21(20)24/h11-14,20-23H,6,9-10,15-19H2,1-5H3,(H,32,36);3-5,8,10-12,14,22,26,30H,2,6-7,15-21,23H2,1H3;7-8,11-14,20-21,24,30H,4,9-10,15-19H2,1-3H3;6-7,10-13,19-20,22,28H,3,8-9,14-18H2,1-2H3;4-7,9-11,13,19,23,27-28H,3,14-18,20H2,1-2H3;4,6,8-12,18,24,27,30H,3,13-17,19H2,1-2H3;9-14,16-17,27H,4-5,7,15H2,1-3H3;4-7,9-11,13,15,22-23H,3,14,16H2,1-2H3
InChIKeyGBGZXAXLVNBQFK-UHFFFAOYSA-N
MW3267.55 g/mol
LogP40.74
Rot. Bonds46

About N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-1-methylpiperidin-4-amine;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridine-3-carboxamide;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-[4-[2-[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]ethyl]piperidin-1-yl]ethanone;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

N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-1-methylpiperidin-4-amine;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridine-3-carboxamide;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-[4-[2-[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]ethyl]piperidin-1-yl]ethanone;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 (PubChem CID 158204084) has the molecular formula C213H255F2N25O4 and a molecular weight of 3267.55 g/mol. Its IUPAC name is N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-1-methylpiperidin-4-amine;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridine-3-carboxamide;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-[4-[2-[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]ethyl]piperidin-1-yl]ethanone;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.

Molecular Properties

Compound NameN-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-1-methylpiperidin-4-amine;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridine-3-carboxamide;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-[4-[2-[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]ethyl]piperidin-1-yl]ethanone;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
PubChem CID158204084
Molecular FormulaC213H255F2N25O4
Molecular Weight3267.55 g/mol
Exact Mass3265.05
IUPAC NameN-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-1-methylpiperidin-4-amine;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridine-3-carboxamide;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-[4-[2-[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]ethyl]piperidin-1-yl]ethanone;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
SMILESCCCc1ccc2c(c1)cc(C#CCNc1ccc(C(C)(F)F)cc1)n2CC.CCn1c(C#CCNC(=O)c2ccc(C(C)(C)C)nc2)cc2cc(CCC3CCN(C)CC3)ccc21.CCn1c(C#CCNc2ccc(C)cc2)cc2c(CN3CCC(O)CC3)cccc21.CCn1c(C#CCNc2ccc(C)cc2)cc2cc(CCC3CCN(C(C)=O)CC3)ccc21.CCn1c(C#CCNc2ccc(C)cc2)cc2cc(CCC3CCOCC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2c(CN3CCC(N4CCCC4)CC3)cccc21.CCn1c(C#CCNc2ccccc2)cc2c(CNC)cccc21.CCn1c(C#CCNc2ccccc2)cc2c(CNC3CCN(C)CC3)cccc21
InChIInChI=1S/C31H40N4O.C29H36N4.C29H35N3O.C27H32N2O.C26H32N4.C26H31N3O.C24H26F2N2.C21H23N3/c1-6-35-27(8-7-17-32-30(36)25-12-14-29(33-22-25)31(2,3)4)21-26-20-24(11-13-28(26)35)10-9-23-15-18-34(5)19-16-23;1-2-33-27(13-9-17-30-25-11-4-3-5-12-25)22-28-24(10-8-14-29(28)33)23-31-20-15-26(16-21-31)32-18-6-7-19-32;1-4-32-28(6-5-17-30-27-12-7-22(2)8-13-27)21-26-20-25(11-14-29(26)32)10-9-24-15-18-31(19-16-24)23(3)33;1-3-29-26(5-4-16-28-25-11-6-21(2)7-12-25)20-24-19-23(10-13-27(24)29)9-8-22-14-17-30-18-15-22;1-3-30-24(12-8-16-27-22-10-5-4-6-11-22)19-25-21(9-7-13-26(25)30)20-28-23-14-17-29(2)18-15-23;1-3-29-23(7-5-15-27-22-11-9-20(2)10-12-22)18-25-21(6-4-8-26(25)29)19-28-16-13-24(30)14-17-28;1-4-7-18-9-14-23-19(16-18)17-22(28(23)5-2)8-6-15-27-21-12-10-20(11-13-21)24(3,25)26;1-3-24-19(12-8-14-23-18-10-5-4-6-11-18)15-20-17(16-22-2)9-7-13-21(20)24/h11-14,20-23H,6,9-10,15-19H2,1-5H3,(H,32,36);3-5,8,10-12,14,22,26,30H,2,6-7,15-21,23H2,1H3;7-8,11-14,20-21,24,30H,4,9-10,15-19H2,1-3H3;6-7,10-13,19-20,22,28H,3,8-9,14-18H2,1-2H3;4-7,9-11,13,19,23,27-28H,3,14-18,20H2,1-2H3;4,6,8-12,18,24,27,30H,3,13-17,19H2,1-2H3;9-14,16-17,27H,4-5,7,15H2,1-3H3;4-7,9-11,13,15,22-23H,3,14,16H2,1-2H3
InChIKeyGBGZXAXLVNBQFK-UHFFFAOYSA-N
XLogP40.74
TPSA255.67 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds46
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003267.55
LogP ≤ 540.74
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-1-methylpiperidin-4-amine;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridine-3-carboxamide;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-[4-[2-[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]ethyl]piperidin-1-yl]ethanone;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 with MolForge

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Related Compounds

(4R)-1-[5-(aminomethyl)-3H-inden-1-yl]-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157264500
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
(7S)-N,7-di(propan-2-yl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-fluoropropyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 2-[4-[[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]cyclohexyl]acetate
CID 158853532
tert-butyl 3-[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]propanoate;5-[2-[(1S)-1-[[2-(5,6-difluoro-1H-indol-3-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(5,7-difluoro-1H-indol-3-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(4-methyl-1H-indol-3-yl)acetamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 159064491
N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-1-methylpiperidin-4-amine;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridine-3-carboxamide;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;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 160893361
N-[6-[(4,4-difluoropiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;3-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-5-methylbenzamide;N-[6-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]pyridine-3-carboxamide
CID 161089607
(7S)-N,7-di(propan-2-yl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-ethynylcyclohexyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-fluoropropyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 2-[4-[[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]cyclohexyl]acetate
CID 161852915
6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridine-3-carboxamide;ethyl 2-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-2-methylpropanoate;1-[4-[2-[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]ethyl]piperidin-1-yl]ethanone;3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]-N-methylprop-2-ynamide;3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]-N-phenylprop-2-ynamide;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-ethynylaniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine
CID 157888706
N-cyclopentyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-2-oxoacetamide;N-cyclopropyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-2-oxoacetamide;2-[5-[(2R,5S)-2,5-dimethylpiperazine-1-carbonyl]-1,6-dimethylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-methyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-3,4-dimethylpentane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione;methane
CID 158365833
1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-ol
CID 158480044
N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-(2-methoxyethyl)-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-(2-methoxyethyl)-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-methoxy-N-methyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N-methyl-2-oxo-N-prop-2-ynylacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-2-piperidin-1-ylethane-1,2-dione;methane
CID 158931298
N-[6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;3-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-5-methylbenzamide;N-[6-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]pyridine-3-carboxamide
CID 159527289

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-1-methylpiperidin-4-amine;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridine-3-carboxamide;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-[4-[2-[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]ethyl]piperidin-1-yl]ethanone;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?
The IUPAC name of N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-1-methylpiperidin-4-amine;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridine-3-carboxamide;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-[4-[2-[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]ethyl]piperidin-1-yl]ethanone;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 158204084) is N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-1-methylpiperidin-4-amine;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridine-3-carboxamide;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-[4-[2-[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]ethyl]piperidin-1-yl]ethanone;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.
What is the SMILES notation for N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-1-methylpiperidin-4-amine;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridine-3-carboxamide;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-[4-[2-[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]ethyl]piperidin-1-yl]ethanone;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?
The canonical SMILES for N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-1-methylpiperidin-4-amine;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridine-3-carboxamide;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-[4-[2-[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]ethyl]piperidin-1-yl]ethanone;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 is CCCc1ccc2c(c1)cc(C#CCNc1ccc(C(C)(F)F)cc1)n2CC.CCn1c(C#CCNC(=O)c2ccc(C(C)(C)C)nc2)cc2cc(CCC3CCN(C)CC3)ccc21.CCn1c(C#CCNc2ccc(C)cc2)cc2c(CN3CCC(O)CC3)cccc21.CCn1c(C#CCNc2ccc(C)cc2)cc2cc(CCC3CCN(C(C)=O)CC3)ccc21.CCn1c(C#CCNc2ccc(C)cc2)cc2cc(CCC3CCOCC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2c(CN3CCC(N4CCCC4)CC3)cccc21.CCn1c(C#CCNc2ccccc2)cc2c(CNC)cccc21.CCn1c(C#CCNc2ccccc2)cc2c(CNC3CCN(C)CC3)cccc21.
What is the InChIKey of N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-1-methylpiperidin-4-amine;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridine-3-carboxamide;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-[4-[2-[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]ethyl]piperidin-1-yl]ethanone;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?
The InChIKey is GBGZXAXLVNBQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N4O.C29H36N4.C29H35N3O.C27H32N2O.C26H32N4.C26H31N3O.C24H26F2N2.C21H23N3/c1-6-35-27(8-7-17-32-30(36)25-12-14-29(33-22-25)31(2,3)4)21-26-20-24(11-13-28(26)35)10-9-23-15-18-34(5)19-16-23;1-2-33-27(13-9-17-30-25-11-4-3-5-12-25)22-28-24(10-8-14-29(28)33)23-31-20-15-26(16-21-31)32-18-6-7-19-32;1-4-32-28(6-5-17-30-27-12-7-22(2)8-13-27)21-26-20-25(11-14-29(26)32)10-9-24-15-18-31(19-16-24)23(3)33;1-3-29-26(5-4-16-28-25-11-6-21(2)7-12-25)20-24-19-23(10-13-27(24)29)9-8-22-14-17-30-18-15-22;1-3-30-24(12-8-16-27-22-10-5-4-6-11-22)19-25-21(9-7-13-26(25)30)20-28-23-14-17-29(2)18-15-23;1-3-29-23(7-5-15-27-22-11-9-20(2)10-12-22)18-25-21(6-4-8-26(25)29)19-28-16-13-24(30)14-17-28;1-4-7-18-9-14-23-19(16-18)17-22(28(23)5-2)8-6-15-27-21-12-10-20(11-13-21)24(3,25)26;1-3-24-19(12-8-14-23-18-10-5-4-6-11-18)15-20-17(16-22-2)9-7-13-21(20)24/h11-14,20-23H,6,9-10,15-19H2,1-5H3,(H,32,36);3-5,8,10-12,14,22,26,30H,2,6-7,15-21,23H2,1H3;7-8,11-14,20-21,24,30H,4,9-10,15-19H2,1-3H3;6-7,10-13,19-20,22,28H,3,8-9,14-18H2,1-2H3;4-7,9-11,13,19,23,27-28H,3,14-18,20H2,1-2H3;4,6,8-12,18,24,27,30H,3,13-17,19H2,1-2H3;9-14,16-17,27H,4-5,7,15H2,1-3H3;4-7,9-11,13,15,22-23H,3,14,16H2,1-2H3.
What are the key properties of N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-1-methylpiperidin-4-amine;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridine-3-carboxamide;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-[4-[2-[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]ethyl]piperidin-1-yl]ethanone;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?
N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-1-methylpiperidin-4-amine;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridine-3-carboxamide;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-[4-[2-[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]ethyl]piperidin-1-yl]ethanone;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 has a molecular weight of 3267.55 g/mol, XLogP of 40.74, 46 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-1-methylpiperidin-4-amine;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridine-3-carboxamide;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-[4-[2-[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]ethyl]piperidin-1-yl]ethanone;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 is sourced from PubChem (CID 158204084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).