N-[2-[2-[2-[2-[2-[4-[2-[(3S)-3-[[7-(3,4-dimethoxyphenyl)-4-propanoyl-3,5-dihydro-2H-1,4-benzoxazepin-9-yl]oxymethyl]piperidin-1-yl]ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide

C59H73N7O10S — CID 171639128

About N-[2-[2-[2-[2-[2-[4-[2-[(3S)-3-[[7-(3,4-dimethoxyphenyl)-4-propanoyl-3,5-dihydro-2H-1,4-benzoxazepin-9-yl]oxymethyl]piperidin-1-yl]ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide

N-[2-[2-[2-[2-[2-[4-[2-[(3S)-3-[[7-(3,4-dimethoxyphenyl)-4-propanoyl-3,5-dihydro-2H-1,4-benzoxazepin-9-yl]oxymethyl]piperidin-1-yl]ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide (PubChem CID 171639128) has the molecular formula C59H73N7O10S and a molecular weight of 1072.34 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[4-[2-[(3S)-3-[[7-(3,4-dimethoxyphenyl)-4-propanoyl-3,5-dihydro-2H-1,4-benzoxazepin-9-yl]oxymethyl]piperidin-1-yl]ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-[2-[4-[2-[(3S)-3-[[7-(3,4-dimethoxyphenyl)-4-propanoyl-3,5-dihydro-2H-1,4-benzoxazepin-9-yl]oxymethyl]piperidin-1-yl]ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide
• PubChem CID: 171639128
• Molecular Formula: C59H73N7O10S
• Molecular Weight: 1072.34 g/mol
• Exact Mass: 1071.51
• IUPAC Name: N-[2-[2-[2-[2-[2-[4-[2-[(3S)-3-[[7-(3,4-dimethoxyphenyl)-4-propanoyl-3,5-dihydro-2H-1,4-benzoxazepin-9-yl]oxymethyl]piperidin-1-yl]ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide
• SMILES: CCC(=O)N1CCOc2c(cc(-c3ccc(OC)c(OC)c3)cc2OC[C@H]2CCCN(CCc3cn(CCOCCOCCOCCOCCNC(=O)c4ccc5c(c4)c4ccc(-c6cccs6)cc4n5CC)nn3)C2)C1
• InChI: InChI=1S/C59H73N7O10S/c1-5-57(67)64-21-25-75-58-47(39-64)33-46(43-13-16-53(69-3)54(36-43)70-4)37-55(58)76-41-42-9-7-19-63(38-42)20-17-48-40-65(62-61-48)22-24-72-27-29-74-31-30-73-28-26-71-23-18-60-59(68)45-12-15-51-50(34-45)49-14-11-44(56-10-8-32-77-56)35-52(49)66(51)6-2/h8,10-16,32-37,40,42H,5-7,9,17-31,38-39,41H2,1-4H3,(H,60,68)/t42-/m0/s1
• InChIKey: OZTNFRIZANROII-WBCKFURZSA-N
• XLogP: 8.78
• TPSA: 162.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 28
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1072.34
LogP ≤ 5	8.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-[4-[2-[(3S)-3-[[7-(3,4-dimethoxyphenyl)-4-propanoyl-3,5-dihydro-2H-1,4-benzoxazepin-9-yl]oxymethyl]piperidin-1-yl]ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide?

The IUPAC name of N-[2-[2-[2-[2-[2-[4-[2-[(3S)-3-[[7-(3,4-dimethoxyphenyl)-4-propanoyl-3,5-dihydro-2H-1,4-benzoxazepin-9-yl]oxymethyl]piperidin-1-yl]ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide (CID 171639128) is N-[2-[2-[2-[2-[2-[4-[2-[(3S)-3-[[7-(3,4-dimethoxyphenyl)-4-propanoyl-3,5-dihydro-2H-1,4-benzoxazepin-9-yl]oxymethyl]piperidin-1-yl]ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide.

What is the SMILES notation for N-[2-[2-[2-[2-[2-[4-[2-[(3S)-3-[[7-(3,4-dimethoxyphenyl)-4-propanoyl-3,5-dihydro-2H-1,4-benzoxazepin-9-yl]oxymethyl]piperidin-1-yl]ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide?

The canonical SMILES for N-[2-[2-[2-[2-[2-[4-[2-[(3S)-3-[[7-(3,4-dimethoxyphenyl)-4-propanoyl-3,5-dihydro-2H-1,4-benzoxazepin-9-yl]oxymethyl]piperidin-1-yl]ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide is CCC(=O)N1CCOc2c(cc(-c3ccc(OC)c(OC)c3)cc2OC[C@H]2CCCN(CCc3cn(CCOCCOCCOCCOCCNC(=O)c4ccc5c(c4)c4ccc(-c6cccs6)cc4n5CC)nn3)C2)C1.

What is the InChIKey of N-[2-[2-[2-[2-[2-[4-[2-[(3S)-3-[[7-(3,4-dimethoxyphenyl)-4-propanoyl-3,5-dihydro-2H-1,4-benzoxazepin-9-yl]oxymethyl]piperidin-1-yl]ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide?

The InChIKey is OZTNFRIZANROII-WBCKFURZSA-N. The full InChI is InChI=1S/C59H73N7O10S/c1-5-57(67)64-21-25-75-58-47(39-64)33-46(43-13-16-53(69-3)54(36-43)70-4)37-55(58)76-41-42-9-7-19-63(38-42)20-17-48-40-65(62-61-48)22-24-72-27-29-74-31-30-73-28-26-71-23-18-60-59(68)45-12-15-51-50(34-45)49-14-11-44(56-10-8-32-77-56)35-52(49)66(51)6-2/h8,10-16,32-37,40,42H,5-7,9,17-31,38-39,41H2,1-4H3,(H,60,68)/t42-/m0/s1.

What are the key properties of N-[2-[2-[2-[2-[2-[4-[2-[(3S)-3-[[7-(3,4-dimethoxyphenyl)-4-propanoyl-3,5-dihydro-2H-1,4-benzoxazepin-9-yl]oxymethyl]piperidin-1-yl]ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide?

N-[2-[2-[2-[2-[2-[4-[2-[(3S)-3-[[7-(3,4-dimethoxyphenyl)-4-propanoyl-3,5-dihydro-2H-1,4-benzoxazepin-9-yl]oxymethyl]piperidin-1-yl]ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide has a molecular weight of 1072.34 g/mol, XLogP of 8.78, 28 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-[2-[4-[2-[(3S)-3-[[7-(3,4-dimethoxyphenyl)-4-propanoyl-3,5-dihydro-2H-1,4-benzoxazepin-9-yl]oxymethyl]piperidin-1-yl]ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide is sourced from PubChem (CID 171639128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).