N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(2-hydroxy-2-methylpropyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium

C157H212N21O14+ — CID 160793184

IUPACN-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(2-hydroxy-2-methylpropyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium
SMILESCC[N+](CC)(CC)Cc1ccc2c(c1)N(C1CCC(C(=O)NC(C)C)CC1)/C(=N/C(=O)c1ccc(C)cc1)C2.Cc1ccc(C(=O)/N=C2\Cc3ccc(CCCC(C)(C)O)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(N4CCOCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(NCC(C)(C)O)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1cccc(C(=O)/N=C2\Cc3cnc(N4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)c1
InChIInChI=1S/C33H45N5O3.C33H46N4O2.C32H43N3O3.C30H38N4O3.C29H39N5O3/c1-21(2)35-31(39)23-9-11-27(12-10-23)38-28-19-29(37-15-13-26(14-16-37)33(4,5)41)34-20-25(28)18-30(38)36-32(40)24-8-6-7-22(3)17-24;1-7-37(8-2,9-3)22-25-12-15-28-21-31(35-33(39)26-13-10-24(6)11-14-26)36(30(28)20-25)29-18-16-27(17-19-29)32(38)34-23(4)5;1-21(2)33-30(36)25-14-16-27(17-15-25)35-28-19-23(7-6-18-32(4,5)38)10-13-26(28)20-29(35)34-31(37)24-11-8-22(3)9-12-24;1-20(2)31-29(35)23-8-11-25(12-9-23)34-27-19-26(33-14-16-37-17-15-33)13-10-24(27)18-28(34)32-30(36)22-6-4-21(3)5-7-22;1-18(2)32-27(35)21-10-12-23(13-11-21)34-24-15-25(31-17-29(4,5)37)30-16-22(24)14-26(34)33-28(36)20-8-6-19(3)7-9-20/h6-8,17,19-21,23,26-27,41H,9-16,18H2,1-5H3,(H,35,39);10-15,20,23,27,29H,7-9,16-19,21-22H2,1-6H3;8-13,19,21,25,27,38H,6-7,14-18,20H2,1-5H3,(H,33,36);4-7,10,13,19-20,23,25H,8-9,11-12,14-18H2,1-3H3,(H,31,35);6-9,15-16,18,21,23,37H,10-14,17H2,1-5H3,(H,30,31)(H,32,35)/p+1/b36-30+;35-31+;34-29+;32-28+;33-26+
InChIKeySCCBKRFWDJOREA-RVYSGTFLSA-O
MW2617.56 g/mol
LogP25.67
Rot. Bonds35

About N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(2-hydroxy-2-methylpropyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium

N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(2-hydroxy-2-methylpropyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium (PubChem CID 160793184) has the molecular formula C157H212N21O14+ and a molecular weight of 2617.56 g/mol. Its IUPAC name is N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(2-hydroxy-2-methylpropyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium.

Molecular Properties

Compound NameN-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(2-hydroxy-2-methylpropyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium
PubChem CID160793184
Molecular FormulaC157H212N21O14+
Molecular Weight2617.56 g/mol
Exact Mass2615.65
IUPAC NameN-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(2-hydroxy-2-methylpropyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium
SMILESCC[N+](CC)(CC)Cc1ccc2c(c1)N(C1CCC(C(=O)NC(C)C)CC1)/C(=N/C(=O)c1ccc(C)cc1)C2.Cc1ccc(C(=O)/N=C2\Cc3ccc(CCCC(C)(C)O)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(N4CCOCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(NCC(C)(C)O)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1cccc(C(=O)/N=C2\Cc3cnc(N4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)c1
InChIInChI=1S/C33H45N5O3.C33H46N4O2.C32H43N3O3.C30H38N4O3.C29H39N5O3/c1-21(2)35-31(39)23-9-11-27(12-10-23)38-28-19-29(37-15-13-26(14-16-37)33(4,5)41)34-20-25(28)18-30(38)36-32(40)24-8-6-7-22(3)17-24;1-7-37(8-2,9-3)22-25-12-15-28-21-31(35-33(39)26-13-10-24(6)11-14-26)36(30(28)20-25)29-18-16-27(17-19-29)32(38)34-23(4)5;1-21(2)33-30(36)25-14-16-27(17-15-25)35-28-19-23(7-6-18-32(4,5)38)10-13-26(28)20-29(35)34-31(37)24-11-8-22(3)9-12-24;1-20(2)31-29(35)23-8-11-25(12-9-23)34-27-19-26(33-14-16-37-17-15-33)13-10-24(27)18-28(34)32-30(36)22-6-4-21(3)5-7-22;1-18(2)32-27(35)21-10-12-23(13-11-21)34-24-15-25(31-17-29(4,5)37)30-16-22(24)14-26(34)33-28(36)20-8-6-19(3)7-9-20/h6-8,17,19-21,23,26-27,41H,9-16,18H2,1-5H3,(H,35,39);10-15,20,23,27,29H,7-9,16-19,21-22H2,1-6H3;8-13,19,21,25,27,38H,6-7,14-18,20H2,1-5H3,(H,33,36);4-7,10,13,19-20,23,25H,8-9,11-12,14-18H2,1-3H3,(H,31,35);6-9,15-16,18,21,23,37H,10-14,17H2,1-5H3,(H,30,31)(H,32,35)/p+1/b36-30+;35-31+;34-29+;32-28+;33-26+
InChIKeySCCBKRFWDJOREA-RVYSGTFLSA-O
XLogP25.67
TPSA423.06 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds35
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002617.56
LogP ≤ 525.67
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(2-hydroxy-2-methylpropyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium 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-(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
N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;4-methyl-N-[6-(4-methylpiperazin-1-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide
CID 158589644
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 159017807
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
N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide
CID 160006735
N-[6-[(2-hydroxy-2-methylpropyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide
CID 160387104
1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;bis(4-hydroxy-1-[1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]butan-1-one)
CID 165108587

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(2-hydroxy-2-methylpropyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium?
The IUPAC name of N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(2-hydroxy-2-methylpropyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium (CID 160793184) is N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(2-hydroxy-2-methylpropyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium.
What is the SMILES notation for N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(2-hydroxy-2-methylpropyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium?
The canonical SMILES for N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(2-hydroxy-2-methylpropyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium is CC[N+](CC)(CC)Cc1ccc2c(c1)N(C1CCC(C(=O)NC(C)C)CC1)/C(=N/C(=O)c1ccc(C)cc1)C2.Cc1ccc(C(=O)/N=C2\Cc3ccc(CCCC(C)(C)O)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(N4CCOCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(NCC(C)(C)O)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1cccc(C(=O)/N=C2\Cc3cnc(N4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)c1.
What is the InChIKey of N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(2-hydroxy-2-methylpropyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium?
The InChIKey is SCCBKRFWDJOREA-RVYSGTFLSA-O. The full InChI is InChI=1S/C33H45N5O3.C33H46N4O2.C32H43N3O3.C30H38N4O3.C29H39N5O3/c1-21(2)35-31(39)23-9-11-27(12-10-23)38-28-19-29(37-15-13-26(14-16-37)33(4,5)41)34-20-25(28)18-30(38)36-32(40)24-8-6-7-22(3)17-24;1-7-37(8-2,9-3)22-25-12-15-28-21-31(35-33(39)26-13-10-24(6)11-14-26)36(30(28)20-25)29-18-16-27(17-19-29)32(38)34-23(4)5;1-21(2)33-30(36)25-14-16-27(17-15-25)35-28-19-23(7-6-18-32(4,5)38)10-13-26(28)20-29(35)34-31(37)24-11-8-22(3)9-12-24;1-20(2)31-29(35)23-8-11-25(12-9-23)34-27-19-26(33-14-16-37-17-15-33)13-10-24(27)18-28(34)32-30(36)22-6-4-21(3)5-7-22;1-18(2)32-27(35)21-10-12-23(13-11-21)34-24-15-25(31-17-29(4,5)37)30-16-22(24)14-26(34)33-28(36)20-8-6-19(3)7-9-20/h6-8,17,19-21,23,26-27,41H,9-16,18H2,1-5H3,(H,35,39);10-15,20,23,27,29H,7-9,16-19,21-22H2,1-6H3;8-13,19,21,25,27,38H,6-7,14-18,20H2,1-5H3,(H,33,36);4-7,10,13,19-20,23,25H,8-9,11-12,14-18H2,1-3H3,(H,31,35);6-9,15-16,18,21,23,37H,10-14,17H2,1-5H3,(H,30,31)(H,32,35)/p+1/b36-30+;35-31+;34-29+;32-28+;33-26+.
What are the key properties of N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(2-hydroxy-2-methylpropyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium?
N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(2-hydroxy-2-methylpropyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium has a molecular weight of 2617.56 g/mol, XLogP of 25.67, 35 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxy-4-methylpentyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[(2-hydroxy-2-methylpropyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;4-methyl-N-[6-morpholin-4-yl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;triethyl-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-6-yl]methyl]azanium is sourced from PubChem (CID 160793184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).