N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;1-[5-[1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one

C99H130N16O25 — CID 158316617

About N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;1-[5-[1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one

N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;1-[5-[1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 158316617) has the molecular formula C99H130N16O25 and a molecular weight of 1944.22 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;1-[5-[1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

• Compound Name: N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;1-[5-[1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one
• PubChem CID: 158316617
• Molecular Formula: C99H130N16O25
• Molecular Weight: 1944.22 g/mol
• Exact Mass: 1942.94
• IUPAC Name: N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;1-[5-[1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one
• SMILES: CC(C)(C)C(=O)c1cc2cc(C(=O)c3cn(CCOCCO)nn3)cnc2[nH]1.COCCOCCOCCOCCOc1cc(C(=O)Nc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)ccc1O.COCCOCCOCCOCCOc1ccc(C(=O)Nc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)cc1.COCCOCCOCCOCCn1cc(C(=O)c2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)nn1
• InChI: InChI=1S/C28H37N3O8.C28H37N3O7.C24H33N5O6.C19H23N5O4/c1-28(2,3)25(33)22-16-20-15-21(18-29-26(20)31-22)30-27(34)19-5-6-23(32)24(17-19)39-14-13-38-12-11-37-10-9-36-8-7-35-4;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;1-24(2,3)22(31)19-14-17-13-18(15-25-23(17)26-19)21(30)20-16-29(28-27-20)5-6-33-9-10-35-12-11-34-8-7-32-4;1-19(2,3)17(27)14-9-12-8-13(10-20-18(12)21-14)16(26)15-11-24(23-22-15)4-6-28-7-5-25/h5-6,15-18,32H,7-14H2,1-4H3,(H,29,31)(H,30,34);5-8,17-19H,9-16H2,1-4H3,(H,29,31)(H,30,33);13-16H,5-12H2,1-4H3,(H,25,26);8-11,25H,4-7H2,1-3H3,(H,20,21)
• InChIKey: GOIIHIUNICXCAL-UHFFFAOYSA-N
• XLogP: 11.88
• TPSA: 515.67 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 55
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1944.22
LogP ≤ 5	11.88
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

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-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;1-[5-[1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one?

The IUPAC name of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;1-[5-[1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one (CID 158316617) is N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;1-[5-[1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one.

What is the SMILES notation for N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;1-[5-[1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one?

The canonical SMILES for N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;1-[5-[1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cc2cc(C(=O)c3cn(CCOCCO)nn3)cnc2[nH]1.COCCOCCOCCOCCOc1cc(C(=O)Nc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)ccc1O.COCCOCCOCCOCCOc1ccc(C(=O)Nc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)cc1.COCCOCCOCCOCCn1cc(C(=O)c2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)nn1.

What is the InChIKey of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;1-[5-[1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one?

The InChIKey is GOIIHIUNICXCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O8.C28H37N3O7.C24H33N5O6.C19H23N5O4/c1-28(2,3)25(33)22-16-20-15-21(18-29-26(20)31-22)30-27(34)19-5-6-23(32)24(17-19)39-14-13-38-12-11-37-10-9-36-8-7-35-4;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;1-24(2,3)22(31)19-14-17-13-18(15-25-23(17)26-19)21(30)20-16-29(28-27-20)5-6-33-9-10-35-12-11-34-8-7-32-4;1-19(2,3)17(27)14-9-12-8-13(10-20-18(12)21-14)16(26)15-11-24(23-22-15)4-6-28-7-5-25/h5-6,15-18,32H,7-14H2,1-4H3,(H,29,31)(H,30,34);5-8,17-19H,9-16H2,1-4H3,(H,29,31)(H,30,33);13-16H,5-12H2,1-4H3,(H,25,26);8-11,25H,4-7H2,1-3H3,(H,20,21).

What are the key properties of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;1-[5-[1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one?

N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;1-[5-[1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 1944.22 g/mol, XLogP of 11.88, 55 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;1-[5-[1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carbonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 158316617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).