4-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]benzamide;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;6-tert-butyl-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]pyridin-3-amine;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-6-ethynylpyridin-3-amine

C131H157N15O2 — CID 159729501

IUPAC4-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]benzamide;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;6-tert-butyl-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]pyridin-3-amine;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-6-ethynylpyridin-3-amine
SMILESC#Cc1ccc(NCC#Cc2cc3cc(CCC)ccc3n2CC)cn1.CCCc1ccc2c(c1)cc(C#CCNc1ccc(C(C)(C)C)nc1)n2CC.CCn1c(C#CCNC(=O)c2ccc(C(C)(C)C)cc2)cc2cc(CNC)ccc21.CCn1c(C#CCNc2ccc(C(C)(C)C)nc2)cc2cc(CCC3CCN(C)CC3)ccc21.CCn1c(C#CCNc2ccc(C)cc2)cc2cc(CCC3CCOCC3)ccc21
InChIInChI=1S/C30H40N4.C27H32N2O.C26H31N3O.C25H31N3.C23H23N3/c1-6-34-27(8-7-17-31-26-12-14-29(32-22-26)30(2,3)4)21-25-20-24(11-13-28(25)34)10-9-23-15-18-33(5)19-16-23;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;1-6-29-23(17-21-16-19(18-27-5)9-14-24(21)29)8-7-15-28-25(30)20-10-12-22(13-11-20)26(2,3)4;1-6-9-19-11-13-23-20(16-19)17-22(28(23)7-2)10-8-15-26-21-12-14-24(27-18-21)25(3,4)5;1-4-8-18-10-13-23-19(15-18)16-22(26(23)6-3)9-7-14-24-21-12-11-20(5-2)25-17-21/h11-14,20-23,31H,6,9-10,15-19H2,1-5H3;6-7,10-13,19-20,22,28H,3,8-9,14-18H2,1-2H3;9-14,16-17,27H,6,15,18H2,1-5H3,(H,28,30);11-14,16-18,26H,6-7,9,15H2,1-5H3;2,10-13,15-17,24H,4,6,8,14H2,1,3H3
InChIKeyNBBDZIIXZSYCIT-UHFFFAOYSA-N
MW1973.80 g/mol
LogP26.57
Rot. Bonds27

About 4-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]benzamide;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;6-tert-butyl-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]pyridin-3-amine;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-6-ethynylpyridin-3-amine

4-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]benzamide;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;6-tert-butyl-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]pyridin-3-amine;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-6-ethynylpyridin-3-amine (PubChem CID 159729501) has the molecular formula C131H157N15O2 and a molecular weight of 1973.80 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]benzamide;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;6-tert-butyl-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]pyridin-3-amine;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-6-ethynylpyridin-3-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]benzamide;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;6-tert-butyl-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]pyridin-3-amine;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-6-ethynylpyridin-3-amine
PubChem CID159729501
Molecular FormulaC131H157N15O2
Molecular Weight1973.80 g/mol
Exact Mass1972.26
IUPAC Name4-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]benzamide;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;6-tert-butyl-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]pyridin-3-amine;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-6-ethynylpyridin-3-amine
SMILESC#Cc1ccc(NCC#Cc2cc3cc(CCC)ccc3n2CC)cn1.CCCc1ccc2c(c1)cc(C#CCNc1ccc(C(C)(C)C)nc1)n2CC.CCn1c(C#CCNC(=O)c2ccc(C(C)(C)C)cc2)cc2cc(CNC)ccc21.CCn1c(C#CCNc2ccc(C(C)(C)C)nc2)cc2cc(CCC3CCN(C)CC3)ccc21.CCn1c(C#CCNc2ccc(C)cc2)cc2cc(CCC3CCOCC3)ccc21
InChIInChI=1S/C30H40N4.C27H32N2O.C26H31N3O.C25H31N3.C23H23N3/c1-6-34-27(8-7-17-31-26-12-14-29(32-22-26)30(2,3)4)21-25-20-24(11-13-28(25)34)10-9-23-15-18-33(5)19-16-23;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;1-6-29-23(17-21-16-19(18-27-5)9-14-24(21)29)8-7-15-28-25(30)20-10-12-22(13-11-20)26(2,3)4;1-6-9-19-11-13-23-20(16-19)17-22(28(23)7-2)10-8-15-26-21-12-14-24(27-18-21)25(3,4)5;1-4-8-18-10-13-23-19(15-18)16-22(26(23)6-3)9-7-14-24-21-12-11-20(5-2)25-17-21/h11-14,20-23,31H,6,9-10,15-19H2,1-5H3;6-7,10-13,19-20,22,28H,3,8-9,14-18H2,1-2H3;9-14,16-17,27H,6,15,18H2,1-5H3,(H,28,30);11-14,16-18,26H,6-7,9,15H2,1-5H3;2,10-13,15-17,24H,4,6,8,14H2,1,3H3
InChIKeyNBBDZIIXZSYCIT-UHFFFAOYSA-N
XLogP26.57
TPSA165.04 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds27
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001973.80
LogP ≤ 526.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]benzamide;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;6-tert-butyl-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]pyridin-3-amine;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-6-ethynylpyridin-3-amine with MolForge

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Launch Full Analysis

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;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
N-[[2-(3-benzamidoprop-1-ynyl)-1-ethylindol-5-yl]methyl]-4-isocyano-N-methylbenzamide;4-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]benzamide;6-tert-butyl-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]pyridin-3-amine;N-[3-[1-(2-chloroethyl)-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;4-chloro-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-3-methylbenzamide;1-[4-(1,1-difluoroethyl)phenyl]-3-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]urea;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-4-ethynylaniline
CID 159834615
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
(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
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 157198641
1-[4-[[5-(6-Methyl-2-pyridinyl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;5-[1-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]indol-5-yl]cyclohexa-2,4-dien-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one;3-phenyl-1-[4-[(5-pyridin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 157395476
(1R)-N-[(1R)-2-hydroxy-1-(5-methyl-2-pyridinyl)ethyl]-2-[(4-methylcyclohexyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1R)-N-[(1S)-2-hydroxy-1-(5-methyl-2-pyridinyl)ethyl]-2-[(4-methylcyclohexyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1S)-N-[(1R)-2-hydroxy-1-(5-methyl-2-pyridinyl)ethyl]-2-[(4-methylcyclohexyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1S)-N-[(1S)-2-hydroxy-1-(5-methyl-2-pyridinyl)ethyl]-2-[(4-methylcyclohexyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1R)-2-[(4-methylcyclohexyl)methyl]-N-[(5-methyl-2-pyridinyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1S)-2-[(4-methylcyclohexyl)methyl]-N-[(5-methyl-2-pyridinyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide
CID 157673612
N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-3-methylaniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-4-methylaniline;bis(N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-6-methylpyridin-3-amine);N-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]methyl]-1-methylpiperidin-4-amine;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-6-methylpyridin-3-amine
CID 157714250
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
hexakis(carbon dioxide);2,3-dimethyl-N-[(1S)-1-(4-methyl-2-pyridinyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(5-methyl-3-pyridinyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-2-pyridinyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(2-fluoro-3-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 157927940
pentakis(carbon dioxide);2,3-dimethyl-N-[(1S)-1-(4-methyl-2-pyridinyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(5-methyl-3-pyridinyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-2-pyridinyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(2-fluoro-3-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 157970223

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]benzamide;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;6-tert-butyl-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]pyridin-3-amine;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-6-ethynylpyridin-3-amine?
The IUPAC name of 4-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]benzamide;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;6-tert-butyl-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]pyridin-3-amine;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-6-ethynylpyridin-3-amine (CID 159729501) is 4-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]benzamide;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;6-tert-butyl-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]pyridin-3-amine;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-6-ethynylpyridin-3-amine.
What is the SMILES notation for 4-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]benzamide;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;6-tert-butyl-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]pyridin-3-amine;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-6-ethynylpyridin-3-amine?
The canonical SMILES for 4-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]benzamide;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;6-tert-butyl-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]pyridin-3-amine;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-6-ethynylpyridin-3-amine is C#Cc1ccc(NCC#Cc2cc3cc(CCC)ccc3n2CC)cn1.CCCc1ccc2c(c1)cc(C#CCNc1ccc(C(C)(C)C)nc1)n2CC.CCn1c(C#CCNC(=O)c2ccc(C(C)(C)C)cc2)cc2cc(CNC)ccc21.CCn1c(C#CCNc2ccc(C(C)(C)C)nc2)cc2cc(CCC3CCN(C)CC3)ccc21.CCn1c(C#CCNc2ccc(C)cc2)cc2cc(CCC3CCOCC3)ccc21.
What is the InChIKey of 4-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]benzamide;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;6-tert-butyl-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]pyridin-3-amine;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-6-ethynylpyridin-3-amine?
The InChIKey is NBBDZIIXZSYCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4.C27H32N2O.C26H31N3O.C25H31N3.C23H23N3/c1-6-34-27(8-7-17-31-26-12-14-29(32-22-26)30(2,3)4)21-25-20-24(11-13-28(25)34)10-9-23-15-18-33(5)19-16-23;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;1-6-29-23(17-21-16-19(18-27-5)9-14-24(21)29)8-7-15-28-25(30)20-10-12-22(13-11-20)26(2,3)4;1-6-9-19-11-13-23-20(16-19)17-22(28(23)7-2)10-8-15-26-21-12-14-24(27-18-21)25(3,4)5;1-4-8-18-10-13-23-19(15-18)16-22(26(23)6-3)9-7-14-24-21-12-11-20(5-2)25-17-21/h11-14,20-23,31H,6,9-10,15-19H2,1-5H3;6-7,10-13,19-20,22,28H,3,8-9,14-18H2,1-2H3;9-14,16-17,27H,6,15,18H2,1-5H3,(H,28,30);11-14,16-18,26H,6-7,9,15H2,1-5H3;2,10-13,15-17,24H,4,6,8,14H2,1,3H3.
What are the key properties of 4-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]benzamide;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;6-tert-butyl-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]pyridin-3-amine;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-6-ethynylpyridin-3-amine?
4-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]benzamide;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;6-tert-butyl-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]pyridin-3-amine;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-6-ethynylpyridin-3-amine has a molecular weight of 1973.80 g/mol, XLogP of 26.57, 27 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]benzamide;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;6-tert-butyl-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]pyridin-3-amine;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-6-ethynylpyridin-3-amine is sourced from PubChem (CID 159729501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).