N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide

C195H258F2N26O17S — CID 159049265

IUPACN-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
SMILESCc1ccc(C(=O)/N=C2\Cc3ccc(CN4CC(C(C)(C)O)C4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)C4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(F)(F)C4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(S(C)(=O)=O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCN(CCO)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCNCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C34H46N4O3.C33H45N5O3.C33H44N4O4S.C33H44N4O3.C31H38F2N4O2.C31H41N5O2/c1-22(2)35-32(39)26-12-14-29(15-13-26)38-30-18-24(20-37-17-16-28(21-37)34(4,5)41)8-11-27(30)19-31(38)36-33(40)25-9-6-23(3)7-10-25;1-23(2)34-32(40)27-10-12-29(13-11-27)38-30-20-25(22-37-16-14-36(15-17-37)18-19-39)6-9-28(30)21-31(38)35-33(41)26-7-4-24(3)5-8-26;1-22(2)34-32(38)26-11-13-28(14-12-26)37-30-19-24(21-36-17-15-29(16-18-36)42(4,40)41)7-10-27(30)20-31(37)35-33(39)25-8-5-23(3)6-9-25;1-21(2)34-31(38)25-12-14-28(15-13-25)37-29-16-23(18-36-19-27(20-36)33(4,5)40)8-11-26(29)17-30(37)35-32(39)24-9-6-22(3)7-10-24;1-20(2)34-29(38)24-10-12-26(13-11-24)37-27-16-22(18-36-15-14-31(32,33)19-36)6-9-25(27)17-28(37)35-30(39)23-7-4-21(3)5-8-23;1-21(2)33-30(37)25-10-12-27(13-11-25)36-28-18-23(20-35-16-14-32-15-17-35)6-9-26(28)19-29(36)34-31(38)24-7-4-22(3)5-8-24/h6-11,18,22,26,28-29,41H,12-17,19-21H2,1-5H3,(H,35,39);4-9,20,23,27,29,39H,10-19,21-22H2,1-3H3,(H,34,40);5-10,19,22,26,28-29H,11-18,20-21H2,1-4H3,(H,34,38);6-11,16,21,25,27-28,40H,12-15,17-20H2,1-5H3,(H,34,38);4-9,16,20,24,26H,10-15,17-19H2,1-3H3,(H,34,38);4-9,18,21,25,27,32H,10-17,19-20H2,1-3H3,(H,33,37)/b36-31+;2*35-31+;35-30+;35-28+;34-29+
InChIKeyJXBBORFWRLUJMN-UKPWPBQCSA-N
MW3308.44 g/mol
LogP28.24
Rot. Bonds41

About N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide

N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide (PubChem CID 159049265) has the molecular formula C195H258F2N26O17S and a molecular weight of 3308.44 g/mol. Its IUPAC name is N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide.

Molecular Properties

Compound NameN-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
PubChem CID159049265
Molecular FormulaC195H258F2N26O17S
Molecular Weight3308.44 g/mol
Exact Mass3305.98
IUPAC NameN-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
SMILESCc1ccc(C(=O)/N=C2\Cc3ccc(CN4CC(C(C)(C)O)C4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)C4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(F)(F)C4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(S(C)(=O)=O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCN(CCO)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCNCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C34H46N4O3.C33H45N5O3.C33H44N4O4S.C33H44N4O3.C31H38F2N4O2.C31H41N5O2/c1-22(2)35-32(39)26-12-14-29(15-13-26)38-30-18-24(20-37-17-16-28(21-37)34(4,5)41)8-11-27(30)19-31(38)36-33(40)25-9-6-23(3)7-10-25;1-23(2)34-32(40)27-10-12-29(13-11-27)38-30-20-25(22-37-16-14-36(15-17-37)18-19-39)6-9-28(30)21-31(38)35-33(41)26-7-4-24(3)5-8-26;1-22(2)34-32(38)26-11-13-28(14-12-26)37-30-19-24(21-36-17-15-29(16-18-36)42(4,40)41)7-10-27(30)20-31(37)35-33(39)25-8-5-23(3)6-9-25;1-21(2)34-31(38)25-12-14-28(15-13-25)37-29-16-23(18-36-19-27(20-36)33(4,5)40)8-11-26(29)17-30(37)35-32(39)24-9-6-22(3)7-10-24;1-20(2)34-29(38)24-10-12-26(13-11-24)37-27-16-22(18-36-15-14-31(32,33)19-36)6-9-25(27)17-28(37)35-30(39)23-7-4-21(3)5-8-23;1-21(2)33-30(37)25-10-12-27(13-11-25)36-28-18-23(20-35-16-14-32-15-17-35)6-9-26(28)19-29(36)34-31(38)24-7-4-22(3)5-8-24/h6-11,18,22,26,28-29,41H,12-17,19-21H2,1-5H3,(H,35,39);4-9,20,23,27,29,39H,10-19,21-22H2,1-3H3,(H,34,40);5-10,19,22,26,28-29H,11-18,20-21H2,1-4H3,(H,34,38);6-11,16,21,25,27-28,40H,12-15,17-20H2,1-5H3,(H,34,38);4-9,16,20,24,26H,10-15,17-19H2,1-3H3,(H,34,38);4-9,18,21,25,27,32H,10-17,19-20H2,1-3H3,(H,33,37)/b36-31+;2*35-31+;35-30+;35-28+;34-29+
InChIKeyJXBBORFWRLUJMN-UKPWPBQCSA-N
XLogP28.24
TPSA500.16 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds41
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003308.44
LogP ≤ 528.24
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide with MolForge

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Related Compounds

N-[6-[(4,4-difluoropiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-3-carboxamide;4-methyl-N-[6-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;sulfur trioxide
CID 157937797
N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
CID 158396054
N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
CID 158960650
N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;(2S)-1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]pyrrolidine-2-carboxamide
CID 159089218
N-[6-[(4,4-difluoropiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-3-carboxamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxamide;4-methyl-N-[6-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;sulfur trioxide
CID 161291683
N-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-2-carboxylic acid;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxylic acid;2-[1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidin-4-yl]acetic acid
CID 157298007
N-[6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-[(3-oxopiperazin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
CID 157308968
N-[6-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-3-carboxamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxylic acid;4-methyl-N-[6-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;sulfur trioxide
CID 157864837
N-[6-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-3-carboxamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxamide;1-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]piperidine-4-carboxylic acid;4-methyl-N-[6-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;sulfur dioxide
CID 158090522
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
CID 158166465
N-[6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-[(3-oxopiperazin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
CID 158720312
bis(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-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;bis(N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-3-methylbenzamide)
CID 158917071

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide?
The IUPAC name of N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide (CID 159049265) is N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide.
What is the SMILES notation for N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide?
The canonical SMILES for N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide is Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CC(C(C)(C)O)C4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)C4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(F)(F)C4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(S(C)(=O)=O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCN(CCO)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCNCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.
What is the InChIKey of N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide?
The InChIKey is JXBBORFWRLUJMN-UKPWPBQCSA-N. The full InChI is InChI=1S/C34H46N4O3.C33H45N5O3.C33H44N4O4S.C33H44N4O3.C31H38F2N4O2.C31H41N5O2/c1-22(2)35-32(39)26-12-14-29(15-13-26)38-30-18-24(20-37-17-16-28(21-37)34(4,5)41)8-11-27(30)19-31(38)36-33(40)25-9-6-23(3)7-10-25;1-23(2)34-32(40)27-10-12-29(13-11-27)38-30-20-25(22-37-16-14-36(15-17-37)18-19-39)6-9-28(30)21-31(38)35-33(41)26-7-4-24(3)5-8-26;1-22(2)34-32(38)26-11-13-28(14-12-26)37-30-19-24(21-36-17-15-29(16-18-36)42(4,40)41)7-10-27(30)20-31(37)35-33(39)25-8-5-23(3)6-9-25;1-21(2)34-31(38)25-12-14-28(15-13-25)37-29-16-23(18-36-19-27(20-36)33(4,5)40)8-11-26(29)17-30(37)35-32(39)24-9-6-22(3)7-10-24;1-20(2)34-29(38)24-10-12-26(13-11-24)37-27-16-22(18-36-15-14-31(32,33)19-36)6-9-25(27)17-28(37)35-30(39)23-7-4-21(3)5-8-23;1-21(2)33-30(37)25-10-12-27(13-11-25)36-28-18-23(20-35-16-14-32-15-17-35)6-9-26(28)19-29(36)34-31(38)24-7-4-22(3)5-8-24/h6-11,18,22,26,28-29,41H,12-17,19-21H2,1-5H3,(H,35,39);4-9,20,23,27,29,39H,10-19,21-22H2,1-3H3,(H,34,40);5-10,19,22,26,28-29H,11-18,20-21H2,1-4H3,(H,34,38);6-11,16,21,25,27-28,40H,12-15,17-20H2,1-5H3,(H,34,38);4-9,16,20,24,26H,10-15,17-19H2,1-3H3,(H,34,38);4-9,18,21,25,27,32H,10-17,19-20H2,1-3H3,(H,33,37)/b36-31+;2*35-31+;35-30+;35-28+;34-29+.
What are the key properties of N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide?
N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide has a molecular weight of 3308.44 g/mol, XLogP of 28.24, 41 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide is sourced from PubChem (CID 159049265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).