N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;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;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-(4-methylsulfonylpiperazin-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-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide

C148H192N26O17S3 — CID 158209802

About N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;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;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-(4-methylsulfonylpiperazin-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-pyrrolo[3,2-c]pyridin-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-[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;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-(4-methylsulfonylpiperazin-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-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide (PubChem CID 158209802) has the molecular formula C148H192N26O17S3 and a molecular weight of 2703.53 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-[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;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-(4-methylsulfonylpiperazin-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-pyrrolo[3,2-c]pyridin-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-[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;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-(4-methylsulfonylpiperazin-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-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide
• PubChem CID: 158209802
• Molecular Formula: C148H192N26O17S3
• Molecular Weight: 2703.53 g/mol
• Exact Mass: 2701.41
• 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-[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;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-(4-methylsulfonylpiperazin-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-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide
• SMILES: 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(C)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.Cc1ccc(C(=O)/N=C2\Cc3cnc(N4CCOCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(N4CCS(=O)(=O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1
• InChI: InChI=1S/C30H40N6O4S.C30H40N6O2.C30H38N4O4S.C29H37N5O4S.C29H37N5O3/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;1-20(2)32-29(37)23-9-11-25(12-10-23)36-26-18-27(35-15-13-34(4)14-16-35)31-19-24(26)17-28(36)33-30(38)22-7-5-21(3)6-8-22;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;1-19(2)31-28(35)22-8-10-24(11-9-22)34-25-17-26(33-12-14-39(37,38)15-13-33)30-18-23(25)16-27(34)32-29(36)21-6-4-20(3)5-7-21;1-19(2)31-28(35)22-8-10-24(11-9-22)34-25-17-26(33-12-14-37-15-13-33)30-18-23(25)16-27(34)32-29(36)21-6-4-20(3)5-7-21/h5-8,18-20,23,25H,9-17H2,1-4H3,(H,32,37);5-8,18-20,23,25H,9-17H2,1-4H3,(H,32,37);4-7,10,13,19-20,23,25H,8-9,11-12,14-18H2,1-3H3,(H,31,35);4-7,17-19,22,24H,8-16H2,1-3H3,(H,31,35);4-7,17-19,22,24H,8-16H2,1-3H3,(H,31,35)/b2*33-28+;32-28+;2*32-27+
• InChIKey: GBXYGKGBIZHKTQ-UXFQNUITSA-N
• XLogP: 18.12
• TPSA: 494.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2703.53
LogP ≤ 5	18.12
H-Bond Donors ≤ 5	5
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-[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;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-(4-methylsulfonylpiperazin-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-pyrrolo[3,2-c]pyridin-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-[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;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-(4-methylsulfonylpiperazin-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-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide (CID 158209802) is N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;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;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-(4-methylsulfonylpiperazin-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-pyrrolo[3,2-c]pyridin-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-[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;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-(4-methylsulfonylpiperazin-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-pyrrolo[3,2-c]pyridin-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-[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;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-(4-methylsulfonylpiperazin-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-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide is 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(C)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.Cc1ccc(C(=O)/N=C2\Cc3cnc(N4CCOCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(N4CCS(=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-[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;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-(4-methylsulfonylpiperazin-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-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide?

The InChIKey is GBXYGKGBIZHKTQ-UXFQNUITSA-N. The full InChI is InChI=1S/C30H40N6O4S.C30H40N6O2.C30H38N4O4S.C29H37N5O4S.C29H37N5O3/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;1-20(2)32-29(37)23-9-11-25(12-10-23)36-26-18-27(35-15-13-34(4)14-16-35)31-19-24(26)17-28(36)33-30(38)22-7-5-21(3)6-8-22;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;1-19(2)31-28(35)22-8-10-24(11-9-22)34-25-17-26(33-12-14-39(37,38)15-13-33)30-18-23(25)16-27(34)32-29(36)21-6-4-20(3)5-7-21;1-19(2)31-28(35)22-8-10-24(11-9-22)34-25-17-26(33-12-14-37-15-13-33)30-18-23(25)16-27(34)32-29(36)21-6-4-20(3)5-7-21/h5-8,18-20,23,25H,9-17H2,1-4H3,(H,32,37);5-8,18-20,23,25H,9-17H2,1-4H3,(H,32,37);4-7,10,13,19-20,23,25H,8-9,11-12,14-18H2,1-3H3,(H,31,35);4-7,17-19,22,24H,8-16H2,1-3H3,(H,31,35);4-7,17-19,22,24H,8-16H2,1-3H3,(H,31,35)/b2*33-28+;32-28+;2*32-27+.

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-[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;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-(4-methylsulfonylpiperazin-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-pyrrolo[3,2-c]pyridin-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-[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;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-(4-methylsulfonylpiperazin-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-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide has a molecular weight of 2703.53 g/mol, XLogP of 18.12, 26 rotatable bonds, 5 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-[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;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-(4-methylsulfonylpiperazin-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-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide is sourced from PubChem (CID 158209802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).