bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide);N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-methylbenzamide

C103H130N12O23 — CID 158322846

About bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide);N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-methylbenzamide

bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide);N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-methylbenzamide (PubChem CID 158322846) has the molecular formula C103H130N12O23 and a molecular weight of 1904.23 g/mol. Its IUPAC name is bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide);N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-methylbenzamide.

Molecular Properties

• Compound Name: bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide);N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-methylbenzamide
• PubChem CID: 158322846
• Molecular Formula: C103H130N12O23
• Molecular Weight: 1904.23 g/mol
• Exact Mass: 1902.94
• IUPAC Name: bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide);N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-methylbenzamide
• SMILES: CC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(OCCOCCOCCOCCO)cc3)ncc2[nH]1.COCCOCCOCCOCCOc1ccc(C(=O)Nc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)cc1.COCCOCCOCCOCCOc1ccc(C(=O)Nc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)cc1.Cc1ccc(C(=O)Nc2cc3cc(C(=O)C(C)(C)C)[nH]c3cn2)cc1
• InChI: InChI=1S/2C28H37N3O7.C27H35N3O7.C20H21N3O2/c2*1-28(2,3)25(32)24-18-21-17-22(19-29-26(21)31-24)30-27(33)20-5-7-23(8-6-20)38-16-15-37-14-13-36-12-11-35-10-9-34-4;1-27(2,3)25(32)22-16-20-17-24(28-18-23(20)29-22)30-26(33)19-4-6-21(7-5-19)37-15-14-36-13-12-35-11-10-34-9-8-31;1-12-5-7-13(8-6-12)19(25)23-17-10-14-9-15(18(24)20(2,3)4)22-16(14)11-21-17/h2*5-8,17-19H,9-16H2,1-4H3,(H,29,31)(H,30,33);4-7,16-18,29,31H,8-15H2,1-3H3,(H,28,30,33);5-11,22H,1-4H3,(H,21,23,25)
• InChIKey: GPBGBRRDUZNGII-UHFFFAOYSA-N
• XLogP: 16.06
• TPSA: 448.85 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 50
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1904.23
LogP ≤ 5	16.06
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide);N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-methylbenzamide?

The IUPAC name of bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide);N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-methylbenzamide (CID 158322846) is bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide);N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-methylbenzamide.

What is the SMILES notation for bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide);N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-methylbenzamide?

The canonical SMILES for bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide);N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-methylbenzamide is CC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(OCCOCCOCCOCCO)cc3)ncc2[nH]1.COCCOCCOCCOCCOc1ccc(C(=O)Nc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)cc1.COCCOCCOCCOCCOc1ccc(C(=O)Nc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)cc1.Cc1ccc(C(=O)Nc2cc3cc(C(=O)C(C)(C)C)[nH]c3cn2)cc1.

What is the InChIKey of bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide);N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-methylbenzamide?

The InChIKey is GPBGBRRDUZNGII-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H37N3O7.C27H35N3O7.C20H21N3O2/c2*1-28(2,3)25(32)24-18-21-17-22(19-29-26(21)31-24)30-27(33)20-5-7-23(8-6-20)38-16-15-37-14-13-36-12-11-35-10-9-34-4;1-27(2,3)25(32)22-16-20-17-24(28-18-23(20)29-22)30-26(33)19-4-6-21(7-5-19)37-15-14-36-13-12-35-11-10-34-9-8-31;1-12-5-7-13(8-6-12)19(25)23-17-10-14-9-15(18(24)20(2,3)4)22-16(14)11-21-17/h2*5-8,17-19H,9-16H2,1-4H3,(H,29,31)(H,30,33);4-7,16-18,29,31H,8-15H2,1-3H3,(H,28,30,33);5-11,22H,1-4H3,(H,21,23,25).

What are the key properties of bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide);N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-methylbenzamide?

bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide);N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-methylbenzamide has a molecular weight of 1904.23 g/mol, XLogP of 16.06, 50 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide);N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-methylbenzamide is sourced from PubChem (CID 158322846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).