N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide

C203H278N28O22 — CID 158632301

IUPACN-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide
SMILESCc1ccc(C(=O)/N=C2\Cc3ccc(OCCN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(OCCN4CCCCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OCCN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OCCN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(N)=O)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OCCN4CCCCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1cccc(C(=O)/N=C2\Cc3cnc(OCCN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)c1
InChIInChI=1S/C36H50N4O4.2C35H49N5O4.C33H44N4O3.C32H43N5O4.C32H43N5O3/c1-24(2)37-34(41)27-10-13-30(14-11-27)40-32-23-31(44-21-20-39-18-16-29(17-19-39)36(4,5)43)15-12-28(32)22-33(40)38-35(42)26-8-6-25(3)7-9-26;1-23(2)37-33(41)26-10-12-29(13-11-26)40-30-21-32(44-19-18-39-16-14-28(15-17-39)35(4,5)43)36-22-27(30)20-31(40)38-34(42)25-8-6-24(3)7-9-25;1-23(2)37-33(41)25-9-11-29(12-10-25)40-30-21-32(44-18-17-39-15-13-28(14-16-39)35(4,5)43)36-22-27(30)20-31(40)38-34(42)26-8-6-7-24(3)19-26;1-23(2)34-32(38)26-11-14-28(15-12-26)37-30-22-29(40-20-19-36-17-5-4-6-18-36)16-13-27(30)21-31(37)35-33(39)25-9-7-24(3)8-10-25;1-21-4-6-23(7-5-21)31(39)35-28-18-24-20-34-29(41-17-16-36-14-12-25(13-15-36)32(2,3)40)19-27(24)37(28)26-10-8-22(9-11-26)30(33)38;1-22(2)34-31(38)25-11-13-27(14-12-25)37-28-20-30(40-18-17-36-15-5-4-6-16-36)33-21-26(28)19-29(37)35-32(39)24-9-7-23(3)8-10-24/h6-9,12,15,23-24,27,29-30,43H,10-11,13-14,16-22H2,1-5H3,(H,37,41);6-9,21-23,26,28-29,43H,10-20H2,1-5H3,(H,37,41);6-8,19,21-23,25,28-29,43H,9-18,20H2,1-5H3,(H,37,41);7-10,13,16,22-23,26,28H,4-6,11-12,14-15,17-21H2,1-3H3,(H,34,38);4-7,19-20,22,25-26,40H,8-18H2,1-3H3,(H2,33,38);7-10,20-22,25,27H,4-6,11-19H2,1-3H3,(H,34,38)/b38-33+;2*38-31+;35-31+;35-28+;35-29+
InChIKeyHZIQUDVUWZVFKK-OTXDVVAOSA-N
MW3462.63 g/mol
LogP29.80
Rot. Bonds51

About N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide

N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide (PubChem CID 158632301) has the molecular formula C203H278N28O22 and a molecular weight of 3462.63 g/mol. Its IUPAC name is N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide.

Molecular Properties

Compound NameN-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide
PubChem CID158632301
Molecular FormulaC203H278N28O22
Molecular Weight3462.63 g/mol
Exact Mass3460.15
IUPAC NameN-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide
SMILESCc1ccc(C(=O)/N=C2\Cc3ccc(OCCN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(OCCN4CCCCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OCCN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OCCN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(N)=O)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OCCN4CCCCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1cccc(C(=O)/N=C2\Cc3cnc(OCCN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)c1
InChIInChI=1S/C36H50N4O4.2C35H49N5O4.C33H44N4O3.C32H43N5O4.C32H43N5O3/c1-24(2)37-34(41)27-10-13-30(14-11-27)40-32-23-31(44-21-20-39-18-16-29(17-19-39)36(4,5)43)15-12-28(32)22-33(40)38-35(42)26-8-6-25(3)7-9-26;1-23(2)37-33(41)26-10-12-29(13-11-26)40-30-21-32(44-19-18-39-16-14-28(15-17-39)35(4,5)43)36-22-27(30)20-31(40)38-34(42)25-8-6-24(3)7-9-25;1-23(2)37-33(41)25-9-11-29(12-10-25)40-30-21-32(44-18-17-39-15-13-28(14-16-39)35(4,5)43)36-22-27(30)20-31(40)38-34(42)26-8-6-7-24(3)19-26;1-23(2)34-32(38)26-11-14-28(15-12-26)37-30-22-29(40-20-19-36-17-5-4-6-18-36)16-13-27(30)21-31(37)35-33(39)25-9-7-24(3)8-10-25;1-21-4-6-23(7-5-21)31(39)35-28-18-24-20-34-29(41-17-16-36-14-12-25(13-15-36)32(2,3)40)19-27(24)37(28)26-10-8-22(9-11-26)30(33)38;1-22(2)34-31(38)25-11-13-27(14-12-25)37-28-20-30(40-18-17-36-15-5-4-6-16-36)33-21-26(28)19-29(37)35-32(39)24-9-7-23(3)8-10-24/h6-9,12,15,23-24,27,29-30,43H,10-11,13-14,16-22H2,1-5H3,(H,37,41);6-9,21-23,26,28-29,43H,10-20H2,1-5H3,(H,37,41);6-8,19,21-23,25,28-29,43H,9-18,20H2,1-5H3,(H,37,41);7-10,13,16,22-23,26,28H,4-6,11-12,14-15,17-21H2,1-3H3,(H,34,38);4-7,19-20,22,25-26,40H,8-18H2,1-3H3,(H2,33,38);7-10,20-22,25,27H,4-6,11-19H2,1-3H3,(H,34,38)/b38-33+;2*38-31+;35-31+;35-28+;35-29+
InChIKeyHZIQUDVUWZVFKK-OTXDVVAOSA-N
XLogP29.80
TPSA591.91 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds51
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003462.63
LogP ≤ 529.80
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide?
The IUPAC name of N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide (CID 158632301) is N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide.
What is the SMILES notation for N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide?
The canonical SMILES for N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide is Cc1ccc(C(=O)/N=C2\Cc3ccc(OCCN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(OCCN4CCCCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OCCN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OCCN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(N)=O)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OCCN4CCCCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1cccc(C(=O)/N=C2\Cc3cnc(OCCN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)c1.
What is the InChIKey of N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide?
The InChIKey is HZIQUDVUWZVFKK-OTXDVVAOSA-N. The full InChI is InChI=1S/C36H50N4O4.2C35H49N5O4.C33H44N4O3.C32H43N5O4.C32H43N5O3/c1-24(2)37-34(41)27-10-13-30(14-11-27)40-32-23-31(44-21-20-39-18-16-29(17-19-39)36(4,5)43)15-12-28(32)22-33(40)38-35(42)26-8-6-25(3)7-9-26;1-23(2)37-33(41)26-10-12-29(13-11-26)40-30-21-32(44-19-18-39-16-14-28(15-17-39)35(4,5)43)36-22-27(30)20-31(40)38-34(42)25-8-6-24(3)7-9-25;1-23(2)37-33(41)25-9-11-29(12-10-25)40-30-21-32(44-18-17-39-15-13-28(14-16-39)35(4,5)43)36-22-27(30)20-31(40)38-34(42)26-8-6-7-24(3)19-26;1-23(2)34-32(38)26-11-14-28(15-12-26)37-30-22-29(40-20-19-36-17-5-4-6-18-36)16-13-27(30)21-31(37)35-33(39)25-9-7-24(3)8-10-25;1-21-4-6-23(7-5-21)31(39)35-28-18-24-20-34-29(41-17-16-36-14-12-25(13-15-36)32(2,3)40)19-27(24)37(28)26-10-8-22(9-11-26)30(33)38;1-22(2)34-31(38)25-11-13-27(14-12-25)37-28-20-30(40-18-17-36-15-5-4-6-16-36)33-21-26(28)19-29(37)35-32(39)24-9-7-23(3)8-10-24/h6-9,12,15,23-24,27,29-30,43H,10-11,13-14,16-22H2,1-5H3,(H,37,41);6-9,21-23,26,28-29,43H,10-20H2,1-5H3,(H,37,41);6-8,19,21-23,25,28-29,43H,9-18,20H2,1-5H3,(H,37,41);7-10,13,16,22-23,26,28H,4-6,11-12,14-15,17-21H2,1-3H3,(H,34,38);4-7,19-20,22,25-26,40H,8-18H2,1-3H3,(H2,33,38);7-10,20-22,25,27H,4-6,11-19H2,1-3H3,(H,34,38)/b38-33+;2*38-31+;35-31+;35-28+;35-29+.
What are the key properties of N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide?
N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide has a molecular weight of 3462.63 g/mol, XLogP of 29.80, 51 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide is sourced from PubChem (CID 158632301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).