bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide

C107H134N16O13 — CID 158687749

About bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide

bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide (PubChem CID 158687749) has the molecular formula C107H134N16O13 and a molecular weight of 1852.35 g/mol. Its IUPAC name is bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide.

Molecular Properties

• Compound Name: bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide
• PubChem CID: 158687749
• Molecular Formula: C107H134N16O13
• Molecular Weight: 1852.35 g/mol
• Exact Mass: 1851.03
• IUPAC Name: bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide
• SMILES: CCCOc1cc2c(cn1)C/C(=N\C(=O)c1ccc(C)cc1)N2C1CCC(C(=O)NC(C)C)CC1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OCCO)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OCCO)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnccc3N2C2CCC(C(=O)NC(C)C)CC2)cc1
• InChI: InChI=1S/C28H36N4O3.2C27H34N4O4.C25H30N4O2/c1-5-14-35-26-16-24-22(17-29-26)15-25(31-28(34)20-8-6-19(4)7-9-20)32(24)23-12-10-21(11-13-23)27(33)30-18(2)3;2*1-17(2)29-26(33)20-8-10-22(11-9-20)31-23-15-25(35-13-12-32)28-16-21(23)14-24(31)30-27(34)19-6-4-18(3)5-7-19;1-16(2)27-24(30)19-8-10-21(11-9-19)29-22-12-13-26-15-20(22)14-23(29)28-25(31)18-6-4-17(3)5-7-18/h6-9,16-18,21,23H,5,10-15H2,1-4H3,(H,30,33);2*4-7,15-17,20,22,32H,8-14H2,1-3H3,(H,29,33);4-7,12-13,15-16,19,21H,8-11,14H2,1-3H3,(H,27,30)/b31-25+;2*30-24+;28-23+
• InChIKey: IFYLKVXLUXNPQW-LGZDIBAYSA-N
• XLogP: 15.83
• TPSA: 366.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 25
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1852.35
LogP ≤ 5	15.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide?

The IUPAC name of bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide (CID 158687749) is bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide.

What is the SMILES notation for bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide?

The canonical SMILES for bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide is CCCOc1cc2c(cn1)C/C(=N\C(=O)c1ccc(C)cc1)N2C1CCC(C(=O)NC(C)C)CC1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OCCO)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OCCO)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnccc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.

What is the InChIKey of bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide?

The InChIKey is IFYLKVXLUXNPQW-LGZDIBAYSA-N. The full InChI is InChI=1S/C28H36N4O3.2C27H34N4O4.C25H30N4O2/c1-5-14-35-26-16-24-22(17-29-26)15-25(31-28(34)20-8-6-19(4)7-9-20)32(24)23-12-10-21(11-13-23)27(33)30-18(2)3;2*1-17(2)29-26(33)20-8-10-22(11-9-20)31-23-15-25(35-13-12-32)28-16-21(23)14-24(31)30-27(34)19-6-4-18(3)5-7-19;1-16(2)27-24(30)19-8-10-21(11-9-19)29-22-12-13-26-15-20(22)14-23(29)28-25(31)18-6-4-17(3)5-7-18/h6-9,16-18,21,23H,5,10-15H2,1-4H3,(H,30,33);2*4-7,15-17,20,22,32H,8-14H2,1-3H3,(H,29,33);4-7,12-13,15-16,19,21H,8-11,14H2,1-3H3,(H,27,30)/b31-25+;2*30-24+;28-23+.

What are the key properties of bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide?

bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide has a molecular weight of 1852.35 g/mol, XLogP of 15.83, 25 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide is sourced from PubChem (CID 158687749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).