4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C79H92FN15O17 — CID 170693158

About 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 170693158) has the molecular formula C79H92FN15O17 and a molecular weight of 1542.69 g/mol. Its IUPAC name is 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 170693158
• Molecular Formula: C79H92FN15O17
• Molecular Weight: 1542.69 g/mol
• Exact Mass: 1541.68
• IUPAC Name: 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)Nc3ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c4cc(NC(=O)c5nc(NC(=O)c6cc(NC(=O)c7ccc8nc(-c9nccn9C)[nH]c8c7)cn6C)cn5C)cn4C)cc3)cc12
• InChI: InChI=1S/C79H92FN15O17/c1-49-38-53(80)39-50(2)69(49)112-66-17-11-52(79(3,4)102)41-58(66)60-47-95(9)78(101)68-59(60)44-63(86-68)74(97)83-54-12-14-57(15-13-54)111-37-36-110-35-34-109-33-32-108-31-30-107-29-28-106-27-26-105-25-24-104-23-22-103-21-19-82-75(98)64-42-56(46-92(64)6)85-77(100)72-89-67(48-94(72)8)90-76(99)65-43-55(45-93(65)7)84-73(96)51-10-16-61-62(40-51)88-70(87-61)71-81-18-20-91(71)5/h10-18,20,38-48,86,102H,19,21-37H2,1-9H3,(H,82,98)(H,83,97)(H,84,96)(H,85,100)(H,87,88)(H,90,99)
• InChIKey: IWYIYSVPOHIIPO-UHFFFAOYSA-N
• XLogP: 8.95
• TPSA: 370.00 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 42
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1542.69
LogP ≤ 5	8.95
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 170693158) is 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)Nc3ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c4cc(NC(=O)c5nc(NC(=O)c6cc(NC(=O)c7ccc8nc(-c9nccn9C)[nH]c8c7)cn6C)cn5C)cn4C)cc3)cc12.

What is the InChIKey of 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is IWYIYSVPOHIIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H92FN15O17/c1-49-38-53(80)39-50(2)69(49)112-66-17-11-52(79(3,4)102)41-58(66)60-47-95(9)78(101)68-59(60)44-63(86-68)74(97)83-54-12-14-57(15-13-54)111-37-36-110-35-34-109-33-32-108-31-30-107-29-28-106-27-26-105-25-24-104-23-22-103-21-19-82-75(98)64-42-56(46-92(64)6)85-77(100)72-89-67(48-94(72)8)90-76(99)65-43-55(45-93(65)7)84-73(96)51-10-16-61-62(40-51)88-70(87-61)71-81-18-20-91(71)5/h10-18,20,38-48,86,102H,19,21-37H2,1-9H3,(H,82,98)(H,83,97)(H,84,96)(H,85,100)(H,87,88)(H,90,99).

What are the key properties of 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 1542.69 g/mol, XLogP of 8.95, 42 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 170693158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).