ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;2-[4-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-6-yl]oxy]piperidin-1-yl]acetic acid;methyl 4-[2-[(4-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide

C123H157N17O14 — CID 158213786

About ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;2-[4-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-6-yl]oxy]piperidin-1-yl]acetic acid;methyl 4-[2-[(4-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide

ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;2-[4-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-6-yl]oxy]piperidin-1-yl]acetic acid;methyl 4-[2-[(4-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide (PubChem CID 158213786) has the molecular formula C123H157N17O14 and a molecular weight of 2097.71 g/mol. Its IUPAC name is ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;2-[4-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-6-yl]oxy]piperidin-1-yl]acetic acid;methyl 4-[2-[(4-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide.

Molecular Properties

• Compound Name: ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;2-[4-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-6-yl]oxy]piperidin-1-yl]acetic acid;methyl 4-[2-[(4-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide
• PubChem CID: 158213786
• Molecular Formula: C123H157N17O14
• Molecular Weight: 2097.71 g/mol
• Exact Mass: 2096.21
• IUPAC Name: ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;2-[4-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-6-yl]oxy]piperidin-1-yl]acetic acid;methyl 4-[2-[(4-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide
• SMILES: CCOC(=O)C1CCC(N2/C(=N/C(=O)c3ccc(C)cc3)Cc3ccc(CN4CCCCC4)cc32)CC1.COC(=O)C1CCC(n2c(NC(=O)c3ccc(C)cc3)nc3ccc(CN4CCCCC4)cc32)CC1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OC4CCN(C)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OC4CCN(CC(=O)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1
• InChI: InChI=1S/C32H41N5O5.C31H41N5O3.C31H39N3O3.C29H36N4O3/c1-20(2)34-31(40)23-8-10-25(11-9-23)37-27-17-29(42-26-12-14-36(15-13-26)19-30(38)39)33-18-24(27)16-28(37)35-32(41)22-6-4-21(3)5-7-22;1-20(2)33-30(37)23-9-11-25(12-10-23)36-27-18-29(39-26-13-15-35(4)16-14-26)32-19-24(27)17-28(36)34-31(38)22-7-5-21(3)6-8-22;1-3-37-31(36)25-13-15-27(16-14-25)34-28-19-23(21-33-17-5-4-6-18-33)9-12-26(28)20-29(34)32-30(35)24-10-7-22(2)8-11-24;1-20-6-9-22(10-7-20)27(34)31-29-30-25-15-8-21(19-32-16-4-3-5-17-32)18-26(25)33(29)24-13-11-23(12-14-24)28(35)36-2/h4-7,17-18,20,23,25-26H,8-16,19H2,1-3H3,(H,34,40)(H,38,39);5-8,18-20,23,25-26H,9-17H2,1-4H3,(H,33,37);7-12,19,25,27H,3-6,13-18,20-21H2,1-2H3;6-10,15,18,23-24H,3-5,11-14,16-17,19H2,1-2H3,(H,30,31,34)/b35-28+;34-28+;32-29+
• InChIKey: GCJVMSLWLMRTEO-QMAYPXOZSA-N
• XLogP: 19.74
• TPSA: 350.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2097.71
LogP ≤ 5	19.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;2-[4-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-6-yl]oxy]piperidin-1-yl]acetic acid;methyl 4-[2-[(4-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide?

The IUPAC name of ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;2-[4-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-6-yl]oxy]piperidin-1-yl]acetic acid;methyl 4-[2-[(4-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide (CID 158213786) is ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;2-[4-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-6-yl]oxy]piperidin-1-yl]acetic acid;methyl 4-[2-[(4-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide.

What is the SMILES notation for ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;2-[4-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-6-yl]oxy]piperidin-1-yl]acetic acid;methyl 4-[2-[(4-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide?

The canonical SMILES for ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;2-[4-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-6-yl]oxy]piperidin-1-yl]acetic acid;methyl 4-[2-[(4-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide is CCOC(=O)C1CCC(N2/C(=N/C(=O)c3ccc(C)cc3)Cc3ccc(CN4CCCCC4)cc32)CC1.COC(=O)C1CCC(n2c(NC(=O)c3ccc(C)cc3)nc3ccc(CN4CCCCC4)cc32)CC1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OC4CCN(C)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OC4CCN(CC(=O)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.

What is the InChIKey of ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;2-[4-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-6-yl]oxy]piperidin-1-yl]acetic acid;methyl 4-[2-[(4-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide?

The InChIKey is GCJVMSLWLMRTEO-QMAYPXOZSA-N. The full InChI is InChI=1S/C32H41N5O5.C31H41N5O3.C31H39N3O3.C29H36N4O3/c1-20(2)34-31(40)23-8-10-25(11-9-23)37-27-17-29(42-26-12-14-36(15-13-26)19-30(38)39)33-18-24(27)16-28(37)35-32(41)22-6-4-21(3)5-7-22;1-20(2)33-30(37)23-9-11-25(12-10-23)36-27-18-29(39-26-13-15-35(4)16-14-26)32-19-24(27)17-28(36)34-31(38)22-7-5-21(3)6-8-22;1-3-37-31(36)25-13-15-27(16-14-25)34-28-19-23(21-33-17-5-4-6-18-33)9-12-26(28)20-29(34)32-30(35)24-10-7-22(2)8-11-24;1-20-6-9-22(10-7-20)27(34)31-29-30-25-15-8-21(19-32-16-4-3-5-17-32)18-26(25)33(29)24-13-11-23(12-14-24)28(35)36-2/h4-7,17-18,20,23,25-26H,8-16,19H2,1-3H3,(H,34,40)(H,38,39);5-8,18-20,23,25-26H,9-17H2,1-4H3,(H,33,37);7-12,19,25,27H,3-6,13-18,20-21H2,1-2H3;6-10,15,18,23-24H,3-5,11-14,16-17,19H2,1-2H3,(H,30,31,34)/b35-28+;34-28+;32-29+;.

What are the key properties of ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;2-[4-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-6-yl]oxy]piperidin-1-yl]acetic acid;methyl 4-[2-[(4-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide?

ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;2-[4-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-6-yl]oxy]piperidin-1-yl]acetic acid;methyl 4-[2-[(4-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide has a molecular weight of 2097.71 g/mol, XLogP of 19.74, 26 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;2-[4-[[2-(4-methylbenzoyl)imino-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-6-yl]oxy]piperidin-1-yl]acetic acid;methyl 4-[2-[(4-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide is sourced from PubChem (CID 158213786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).