ethyl 4-[6-(2-hydroxyethoxy)-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[6-methyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;sulfur dioxide

C135H168N18O20S — CID 158019437

About ethyl 4-[6-(2-hydroxyethoxy)-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[6-methyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;sulfur dioxide

ethyl 4-[6-(2-hydroxyethoxy)-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[6-methyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;sulfur dioxide (PubChem CID 158019437) has the molecular formula C135H168N18O20S and a molecular weight of 2395.00 g/mol. Its IUPAC name is ethyl 4-[6-(2-hydroxyethoxy)-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[6-methyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;sulfur dioxide.

Molecular Properties

• Compound Name: ethyl 4-[6-(2-hydroxyethoxy)-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[6-methyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;sulfur dioxide
• PubChem CID: 158019437
• Molecular Formula: C135H168N18O20S
• Molecular Weight: 2395.00 g/mol
• Exact Mass: 2393.24
• IUPAC Name: ethyl 4-[6-(2-hydroxyethoxy)-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[6-methyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;sulfur dioxide
• SMILES: CCCOc1cc2c(cn1)C/C(=N\C(=O)c1ccc(C)cc1)N2C1CCC(C(=O)NC(C)C)CC1.CCOC(=O)C1CCC(N2/C(=N/C(=O)c3cccc(C)c3)Cc3cnc(OCCO)cc32)CC1.Cc1ccc(C(=O)/N=C2\Cc3ccc(C)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\Cc3cnc(OCCO)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.O=S=O
• InChI: InChI=1S/C28H36N4O3.2C27H34N4O4.C27H33N3O2.C26H31N3O5.O2S/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;1-17(2)28-26(31)21-11-13-23(14-12-21)30-24-15-19(4)7-10-22(24)16-25(30)29-27(32)20-8-5-18(3)6-9-20;1-3-33-26(32)18-7-9-21(10-8-18)29-22-15-24(34-12-11-30)27-16-20(22)14-23(29)28-25(31)19-6-4-5-17(2)13-19;1-3-2/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);5-10,15,17,21,23H,11-14,16H2,1-4H3,(H,28,31);4-6,13,15-16,18,21,30H,3,7-12,14H2,1-2H3;/b31-25+;2*30-24+;29-25+;28-23+
• InChIKey: FFWNVYUYOQXQGG-KTFAQOFUSA-N
• XLogP: 19.56
• TPSA: 489.36 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 32
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2395.00
LogP ≤ 5	19.56
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(2-hydroxyethoxy)-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[6-methyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;sulfur dioxide?

The IUPAC name of ethyl 4-[6-(2-hydroxyethoxy)-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[6-methyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;sulfur dioxide (CID 158019437) is ethyl 4-[6-(2-hydroxyethoxy)-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[6-methyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;sulfur dioxide.

What is the SMILES notation for ethyl 4-[6-(2-hydroxyethoxy)-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[6-methyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;sulfur dioxide?

The canonical SMILES for ethyl 4-[6-(2-hydroxyethoxy)-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[6-methyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;sulfur dioxide is CCCOc1cc2c(cn1)C/C(=N\C(=O)c1ccc(C)cc1)N2C1CCC(C(=O)NC(C)C)CC1.CCOC(=O)C1CCC(N2/C(=N/C(=O)c3cccc(C)c3)Cc3cnc(OCCO)cc32)CC1.Cc1ccc(C(=O)/N=C2\Cc3ccc(C)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\Cc3cnc(OCCO)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.O=S=O.

What is the InChIKey of ethyl 4-[6-(2-hydroxyethoxy)-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[6-methyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;sulfur dioxide?

The InChIKey is FFWNVYUYOQXQGG-KTFAQOFUSA-N. The full InChI is InChI=1S/C28H36N4O3.2C27H34N4O4.C27H33N3O2.C26H31N3O5.O2S/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;1-17(2)28-26(31)21-11-13-23(14-12-21)30-24-15-19(4)7-10-22(24)16-25(30)29-27(32)20-8-5-18(3)6-9-20;1-3-33-26(32)18-7-9-21(10-8-18)29-22-15-24(34-12-11-30)27-16-20(22)14-23(29)28-25(31)19-6-4-5-17(2)13-19;1-3-2/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);5-10,15,17,21,23H,11-14,16H2,1-4H3,(H,28,31);4-6,13,15-16,18,21,30H,3,7-12,14H2,1-2H3;/b31-25+;2*30-24+;29-25+;28-23+;.

What are the key properties of ethyl 4-[6-(2-hydroxyethoxy)-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[6-methyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;sulfur dioxide?

ethyl 4-[6-(2-hydroxyethoxy)-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[6-methyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;sulfur dioxide has a molecular weight of 2395.00 g/mol, XLogP of 19.56, 32 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[6-(2-hydroxyethoxy)-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;bis(N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-4-methylbenzamide);4-methyl-N-[6-methyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-propoxy-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;sulfur dioxide is sourced from PubChem (CID 158019437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).