N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(4-methylsulfonylpiperazin-1-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide

C147H185N25O17S2 — CID 159770780

About N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(4-methylsulfonylpiperazin-1-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide

N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(4-methylsulfonylpiperazin-1-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide (PubChem CID 159770780) has the molecular formula C147H185N25O17S2 and a molecular weight of 2638.39 g/mol. Its IUPAC name is N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(4-methylsulfonylpiperazin-1-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide.

Molecular Properties

• Compound Name: N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(4-methylsulfonylpiperazin-1-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide
• PubChem CID: 159770780
• Molecular Formula: C147H185N25O17S2
• Molecular Weight: 2638.39 g/mol
• Exact Mass: 2636.38
• IUPAC Name: N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(4-methylsulfonylpiperazin-1-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide
• SMILES: CCNC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)Cc3cnc(OCCN4CCCCC4)cc32)CC1.COC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)Cc3cnc(OCCN4CCCCC4)cc32)CC1.Cc1ccc(C(=O)/N=C2\Cc3ccc(-n4cncn4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(N4CCS(=O)(=O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(N4CCN(S(C)(=O)=O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1
• InChI: InChI=1S/C30H40N6O4S.C30H39N5O3.C30H38N4O4S.C29H36N4O4.C28H32N6O2/c1-20(2)32-29(37)23-9-11-25(12-10-23)36-26-18-27(34-13-15-35(16-14-34)41(4,39)40)31-19-24(26)17-28(36)33-30(38)22-7-5-21(3)6-8-22;1-2-31-29(36)23-11-13-25(14-12-23)35-26-20-28(38-18-17-34-15-7-4-8-16-34)32-21-24(26)19-27(35)33-30(37)22-9-5-3-6-10-22;1-20(2)31-29(35)23-8-11-25(12-9-23)34-27-19-26(33-14-16-39(37,38)17-15-33)13-10-24(27)18-28(34)32-30(36)22-6-4-21(3)5-7-22;1-36-29(35)22-10-12-24(13-11-22)33-25-19-27(37-17-16-32-14-6-3-7-15-32)30-20-23(25)18-26(33)31-28(34)21-8-4-2-5-9-21;1-18(2)31-27(35)21-8-11-23(12-9-21)34-25-15-24(33-17-29-16-30-33)13-10-22(25)14-26(34)32-28(36)20-6-4-19(3)5-7-20/h5-8,18-20,23,25H,9-17H2,1-4H3,(H,32,37);3,5-6,9-10,20-21,23,25H,2,4,7-8,11-19H2,1H3,(H,31,36);4-7,10,13,19-20,23,25H,8-9,11-12,14-18H2,1-3H3,(H,31,35);2,4-5,8-9,19-20,22,24H,3,6-7,10-18H2,1H3;4-7,10,13,15-18,21,23H,8-9,11-12,14H2,1-3H3,(H,31,35)/b33-28+;33-27+;32-28+;31-26+;32-26+
• InChIKey: NGBVTOBLKXSVRY-OCIXUOOGSA-N
• XLogP: 19.85
• TPSA: 478.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 31
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2638.39
LogP ≤ 5	19.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(4-methylsulfonylpiperazin-1-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide?

The IUPAC name of N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(4-methylsulfonylpiperazin-1-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide (CID 159770780) is N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(4-methylsulfonylpiperazin-1-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide.

What is the SMILES notation for N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(4-methylsulfonylpiperazin-1-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide?

The canonical SMILES for N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(4-methylsulfonylpiperazin-1-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide is CCNC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)Cc3cnc(OCCN4CCCCC4)cc32)CC1.COC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)Cc3cnc(OCCN4CCCCC4)cc32)CC1.Cc1ccc(C(=O)/N=C2\Cc3ccc(-n4cncn4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(N4CCS(=O)(=O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(N4CCN(S(C)(=O)=O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.

What is the InChIKey of N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(4-methylsulfonylpiperazin-1-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide?

The InChIKey is NGBVTOBLKXSVRY-OCIXUOOGSA-N. The full InChI is InChI=1S/C30H40N6O4S.C30H39N5O3.C30H38N4O4S.C29H36N4O4.C28H32N6O2/c1-20(2)32-29(37)23-9-11-25(12-10-23)36-26-18-27(34-13-15-35(16-14-34)41(4,39)40)31-19-24(26)17-28(36)33-30(38)22-7-5-21(3)6-8-22;1-2-31-29(36)23-11-13-25(14-12-23)35-26-20-28(38-18-17-34-15-7-4-8-16-34)32-21-24(26)19-27(35)33-30(37)22-9-5-3-6-10-22;1-20(2)31-29(35)23-8-11-25(12-9-23)34-27-19-26(33-14-16-39(37,38)17-15-33)13-10-24(27)18-28(34)32-30(36)22-6-4-21(3)5-7-22;1-36-29(35)22-10-12-24(13-11-22)33-25-19-27(37-17-16-32-14-6-3-7-15-32)30-20-23(25)18-26(33)31-28(34)21-8-4-2-5-9-21;1-18(2)31-27(35)21-8-11-23(12-9-21)34-25-15-24(33-17-29-16-30-33)13-10-22(25)14-26(34)32-28(36)20-6-4-19(3)5-7-20/h5-8,18-20,23,25H,9-17H2,1-4H3,(H,32,37);3,5-6,9-10,20-21,23,25H,2,4,7-8,11-19H2,1H3,(H,31,36);4-7,10,13,19-20,23,25H,8-9,11-12,14-18H2,1-3H3,(H,31,35);2,4-5,8-9,19-20,22,24H,3,6-7,10-18H2,1H3;4-7,10,13,15-18,21,23H,8-9,11-12,14H2,1-3H3,(H,31,35)/b33-28+;33-27+;32-28+;31-26+;32-26+.

What are the key properties of N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(4-methylsulfonylpiperazin-1-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide?

N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(4-methylsulfonylpiperazin-1-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide has a molecular weight of 2638.39 g/mol, XLogP of 19.85, 31 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(4-methylsulfonylpiperazin-1-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide is sourced from PubChem (CID 159770780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).