6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;N-[3-[1-(2-chloroethyl)-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-4-methylbenzamide;3-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-3-methylbutan-2-one;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-fluoro-4-methylaniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-phenylurea;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-4-ethynylbenzamide

C225H270ClFN26O6S — CID 160745448

IUPAC6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;N-[3-[1-(2-chloroethyl)-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-4-methylbenzamide;3-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-3-methylbutan-2-one;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-fluoro-4-methylaniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-phenylurea;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-4-ethynylbenzamide
SMILESC#CC(C)(C)c1ccc(NCC#Cc2cc3cc(CCC4CCN(C)CC4)ccc3n2CC)cn1.C#Cc1ccc(C(=O)NCC#Cc2cc3cc(CCC)ccc3n2CC)cc1.CCn1c(C#CCNC(=O)Nc2ccccc2)cc2cc(CCC3CCN(C)CC3)ccc21.CCn1c(C#CCNC(=O)c2ccc(C)cc2)cc2cc(CNC)ccc21.CCn1c(C#CCNc2ccc(C(C)(C)C(C)=O)cc2)cc2cc(CCC3CCN(C)CC3)ccc21.CCn1c(C#CCNc2ccc(C(C)(C)C)nc2)cc2cc(CCC3CCN(S(C)(=O)=O)CC3)ccc21.CCn1c(C#CCNc2ccc(C)c(F)c2)cc2cc(CCC3CCN(C)CC3)ccc21.Cc1ccc(NCC#Cc2cc3cc(CCC4CCN(C)CC4)ccc3n2CCCl)cc1
InChIInChI=1S/C32H41N3O.C31H38N4.C30H40N4O2S.C28H34ClN3.C28H34FN3.C28H34N4O.C25H24N2O.C23H25N3O/c1-6-35-30(8-7-19-33-29-14-12-28(13-15-29)32(3,4)24(2)36)23-27-22-26(11-16-31(27)35)10-9-25-17-20-34(5)21-18-25;1-6-31(3,4)30-15-13-27(23-33-30)32-18-8-9-28-22-26-21-25(12-14-29(26)35(28)7-2)11-10-24-16-19-34(5)20-17-24;1-6-34-27(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(19-16-23)37(5,35)36;1-22-5-10-26(11-6-22)30-16-3-4-27-21-25-20-24(9-12-28(25)32(27)19-15-29)8-7-23-13-17-31(2)18-14-23;1-4-32-26(6-5-15-30-25-11-7-21(2)27(29)20-25)19-24-18-23(10-12-28(24)32)9-8-22-13-16-31(3)17-14-22;1-3-32-26(10-7-17-29-28(33)30-25-8-5-4-6-9-25)21-24-20-23(13-14-27(24)32)12-11-22-15-18-31(2)19-16-22;1-4-8-20-12-15-24-22(17-20)18-23(27(24)6-3)9-7-16-26-25(28)21-13-10-19(5-2)11-14-21;1-4-26-21(15-20-14-18(16-24-3)9-12-22(20)26)6-5-13-25-23(27)19-10-7-17(2)8-11-19/h11-16,22-23,25,33H,6,9-10,17-21H2,1-5H3;1,12-15,21-24,32H,7,10-11,16-20H2,2-5H3;11-14,20-23,31H,6,9-10,15-19H2,1-5H3;5-6,9-12,20-21,23,30H,7-8,13-19H2,1-2H3;7,10-12,18-20,22,30H,4,8-9,13-17H2,1-3H3;4-6,8-9,13-14,20-22H,3,11-12,15-19H2,1-2H3,(H2,29,30,33);2,10-15,17-18H,4,6,8,16H2,1,3H3,(H,26,28);7-12,14-15,24H,4,13,16H2,1-3H3,(H,25,27)
InChIKeyRWDFHVQVWJELKF-UHFFFAOYSA-N
MW3521.33 g/mol
LogP42.12
Rot. Bonds51

About 6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;N-[3-[1-(2-chloroethyl)-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-4-methylbenzamide;3-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-3-methylbutan-2-one;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-fluoro-4-methylaniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-phenylurea;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-4-ethynylbenzamide

6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;N-[3-[1-(2-chloroethyl)-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-4-methylbenzamide;3-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-3-methylbutan-2-one;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-fluoro-4-methylaniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-phenylurea;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-4-ethynylbenzamide (PubChem CID 160745448) has the molecular formula C225H270ClFN26O6S and a molecular weight of 3521.33 g/mol. Its IUPAC name is 6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;N-[3-[1-(2-chloroethyl)-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-4-methylbenzamide;3-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-3-methylbutan-2-one;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-fluoro-4-methylaniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-phenylurea;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-4-ethynylbenzamide.

Molecular Properties

Compound Name6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;N-[3-[1-(2-chloroethyl)-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-4-methylbenzamide;3-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-3-methylbutan-2-one;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-fluoro-4-methylaniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-phenylurea;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-4-ethynylbenzamide
PubChem CID160745448
Molecular FormulaC225H270ClFN26O6S
Molecular Weight3521.33 g/mol
Exact Mass3518.10
IUPAC Name6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;N-[3-[1-(2-chloroethyl)-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-4-methylbenzamide;3-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-3-methylbutan-2-one;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-fluoro-4-methylaniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-phenylurea;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-4-ethynylbenzamide
SMILESC#CC(C)(C)c1ccc(NCC#Cc2cc3cc(CCC4CCN(C)CC4)ccc3n2CC)cn1.C#Cc1ccc(C(=O)NCC#Cc2cc3cc(CCC)ccc3n2CC)cc1.CCn1c(C#CCNC(=O)Nc2ccccc2)cc2cc(CCC3CCN(C)CC3)ccc21.CCn1c(C#CCNC(=O)c2ccc(C)cc2)cc2cc(CNC)ccc21.CCn1c(C#CCNc2ccc(C(C)(C)C(C)=O)cc2)cc2cc(CCC3CCN(C)CC3)ccc21.CCn1c(C#CCNc2ccc(C(C)(C)C)nc2)cc2cc(CCC3CCN(S(C)(=O)=O)CC3)ccc21.CCn1c(C#CCNc2ccc(C)c(F)c2)cc2cc(CCC3CCN(C)CC3)ccc21.Cc1ccc(NCC#Cc2cc3cc(CCC4CCN(C)CC4)ccc3n2CCCl)cc1
InChIInChI=1S/C32H41N3O.C31H38N4.C30H40N4O2S.C28H34ClN3.C28H34FN3.C28H34N4O.C25H24N2O.C23H25N3O/c1-6-35-30(8-7-19-33-29-14-12-28(13-15-29)32(3,4)24(2)36)23-27-22-26(11-16-31(27)35)10-9-25-17-20-34(5)21-18-25;1-6-31(3,4)30-15-13-27(23-33-30)32-18-8-9-28-22-26-21-25(12-14-29(26)35(28)7-2)11-10-24-16-19-34(5)20-17-24;1-6-34-27(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(19-16-23)37(5,35)36;1-22-5-10-26(11-6-22)30-16-3-4-27-21-25-20-24(9-12-28(25)32(27)19-15-29)8-7-23-13-17-31(2)18-14-23;1-4-32-26(6-5-15-30-25-11-7-21(2)27(29)20-25)19-24-18-23(10-12-28(24)32)9-8-22-13-16-31(3)17-14-22;1-3-32-26(10-7-17-29-28(33)30-25-8-5-4-6-9-25)21-24-20-23(13-14-27(24)32)12-11-22-15-18-31(2)19-16-22;1-4-8-20-12-15-24-22(17-20)18-23(27(24)6-3)9-7-16-26-25(28)21-13-10-19(5-2)11-14-21;1-4-26-21(15-20-14-18(16-24-3)9-12-22(20)26)6-5-13-25-23(27)19-10-7-17(2)8-11-19/h11-16,22-23,25,33H,6,9-10,17-21H2,1-5H3;1,12-15,21-24,32H,7,10-11,16-20H2,2-5H3;11-14,20-23,31H,6,9-10,15-19H2,1-5H3;5-6,9-12,20-21,23,30H,7-8,13-19H2,1-2H3;7,10-12,18-20,22,30H,4,8-9,13-17H2,1-3H3;4-6,8-9,13-14,20-22H,3,11-12,15-19H2,1-2H3,(H2,29,30,33);2,10-15,17-18H,4,6,8,16H2,1,3H3,(H,26,28);7-12,14-15,24H,4,13,16H2,1-3H3,(H,25,27)
InChIKeyRWDFHVQVWJELKF-UHFFFAOYSA-N
XLogP42.12
TPSA307.38 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds51
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003521.33
LogP ≤ 542.12
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;N-[3-[1-(2-chloroethyl)-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-4-methylbenzamide;3-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-3-methylbutan-2-one;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-fluoro-4-methylaniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-phenylurea;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-4-ethynylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

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
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
6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;N-[3-[1-(2-chloroethyl)-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;4-cyano-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]benzamide;N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-4-methylbenzamide;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-fluoro-4-methylaniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-(2-methylbut-3-yn-2-yl)aniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-phenylurea
CID 158715707
ethyl 2-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-2-methylpropanoate;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;3-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-3-methylbutan-2-one;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 158894267
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
8-[4-(dimethylamino)phenyl]-N-[2-[[4-[8-[4-(dimethylamino)phenyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;8-(1,2-dimethylindol-3-yl)-N-[2-[[4-[8-(1,2-dimethylindol-3-yl)-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;N-[2-[2-[[10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carbonyl]amino]ethyldisulfanyl]ethyl]-10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carboxamide
CID 161370326
6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;N-[3-[1-(2-chloroethyl)-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-4-methylbenzamide;3-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-3-methylbutan-2-one;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-fluoro-4-methylaniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-phenylurea
CID 161577113

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;N-[3-[1-(2-chloroethyl)-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-4-methylbenzamide;3-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-3-methylbutan-2-one;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-fluoro-4-methylaniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-phenylurea;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-4-ethynylbenzamide?
The IUPAC name of 6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;N-[3-[1-(2-chloroethyl)-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-4-methylbenzamide;3-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-3-methylbutan-2-one;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-fluoro-4-methylaniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-phenylurea;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-4-ethynylbenzamide (CID 160745448) is 6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;N-[3-[1-(2-chloroethyl)-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-4-methylbenzamide;3-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-3-methylbutan-2-one;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-fluoro-4-methylaniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-phenylurea;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-4-ethynylbenzamide.
What is the SMILES notation for 6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;N-[3-[1-(2-chloroethyl)-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-4-methylbenzamide;3-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-3-methylbutan-2-one;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-fluoro-4-methylaniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-phenylurea;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-4-ethynylbenzamide?
The canonical SMILES for 6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;N-[3-[1-(2-chloroethyl)-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-4-methylbenzamide;3-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-3-methylbutan-2-one;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-fluoro-4-methylaniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-phenylurea;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-4-ethynylbenzamide is C#CC(C)(C)c1ccc(NCC#Cc2cc3cc(CCC4CCN(C)CC4)ccc3n2CC)cn1.C#Cc1ccc(C(=O)NCC#Cc2cc3cc(CCC)ccc3n2CC)cc1.CCn1c(C#CCNC(=O)Nc2ccccc2)cc2cc(CCC3CCN(C)CC3)ccc21.CCn1c(C#CCNC(=O)c2ccc(C)cc2)cc2cc(CNC)ccc21.CCn1c(C#CCNc2ccc(C(C)(C)C(C)=O)cc2)cc2cc(CCC3CCN(C)CC3)ccc21.CCn1c(C#CCNc2ccc(C(C)(C)C)nc2)cc2cc(CCC3CCN(S(C)(=O)=O)CC3)ccc21.CCn1c(C#CCNc2ccc(C)c(F)c2)cc2cc(CCC3CCN(C)CC3)ccc21.Cc1ccc(NCC#Cc2cc3cc(CCC4CCN(C)CC4)ccc3n2CCCl)cc1.
What is the InChIKey of 6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;N-[3-[1-(2-chloroethyl)-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-4-methylbenzamide;3-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-3-methylbutan-2-one;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-fluoro-4-methylaniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-phenylurea;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-4-ethynylbenzamide?
The InChIKey is RWDFHVQVWJELKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N3O.C31H38N4.C30H40N4O2S.C28H34ClN3.C28H34FN3.C28H34N4O.C25H24N2O.C23H25N3O/c1-6-35-30(8-7-19-33-29-14-12-28(13-15-29)32(3,4)24(2)36)23-27-22-26(11-16-31(27)35)10-9-25-17-20-34(5)21-18-25;1-6-31(3,4)30-15-13-27(23-33-30)32-18-8-9-28-22-26-21-25(12-14-29(26)35(28)7-2)11-10-24-16-19-34(5)20-17-24;1-6-34-27(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(19-16-23)37(5,35)36;1-22-5-10-26(11-6-22)30-16-3-4-27-21-25-20-24(9-12-28(25)32(27)19-15-29)8-7-23-13-17-31(2)18-14-23;1-4-32-26(6-5-15-30-25-11-7-21(2)27(29)20-25)19-24-18-23(10-12-28(24)32)9-8-22-13-16-31(3)17-14-22;1-3-32-26(10-7-17-29-28(33)30-25-8-5-4-6-9-25)21-24-20-23(13-14-27(24)32)12-11-22-15-18-31(2)19-16-22;1-4-8-20-12-15-24-22(17-20)18-23(27(24)6-3)9-7-16-26-25(28)21-13-10-19(5-2)11-14-21;1-4-26-21(15-20-14-18(16-24-3)9-12-22(20)26)6-5-13-25-23(27)19-10-7-17(2)8-11-19/h11-16,22-23,25,33H,6,9-10,17-21H2,1-5H3;1,12-15,21-24,32H,7,10-11,16-20H2,2-5H3;11-14,20-23,31H,6,9-10,15-19H2,1-5H3;5-6,9-12,20-21,23,30H,7-8,13-19H2,1-2H3;7,10-12,18-20,22,30H,4,8-9,13-17H2,1-3H3;4-6,8-9,13-14,20-22H,3,11-12,15-19H2,1-2H3,(H2,29,30,33);2,10-15,17-18H,4,6,8,16H2,1,3H3,(H,26,28);7-12,14-15,24H,4,13,16H2,1-3H3,(H,25,27).
What are the key properties of 6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;N-[3-[1-(2-chloroethyl)-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-4-methylbenzamide;3-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-3-methylbutan-2-one;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-fluoro-4-methylaniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-phenylurea;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-4-ethynylbenzamide?
6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;N-[3-[1-(2-chloroethyl)-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-4-methylbenzamide;3-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-3-methylbutan-2-one;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-fluoro-4-methylaniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-phenylurea;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-4-ethynylbenzamide has a molecular weight of 3521.33 g/mol, XLogP of 42.12, 51 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;N-[3-[1-(2-chloroethyl)-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-4-methylbenzamide;3-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-3-methylbutan-2-one;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-fluoro-4-methylaniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine;1-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-3-phenylurea;N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]-4-ethynylbenzamide is sourced from PubChem (CID 160745448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).