sodium;dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;ethyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluoro-3-methylphenyl)-6-(methoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;4-[1-(4-fluoro-3-methylphenyl)-2-(methoxymethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;hydroxide

C101H60F2N5NaO8 — CID 159636161

About sodium;dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;ethyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluoro-3-methylphenyl)-6-(methoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;4-[1-(4-fluoro-3-methylphenyl)-2-(methoxymethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;hydroxide

sodium;dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;ethyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluoro-3-methylphenyl)-6-(methoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;4-[1-(4-fluoro-3-methylphenyl)-2-(methoxymethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;hydroxide (PubChem CID 159636161) has the molecular formula C101H60F2N5NaO8 and a molecular weight of 1532.60 g/mol. Its IUPAC name is sodium;dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;ethyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluoro-3-methylphenyl)-6-(methoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;4-[1-(4-fluoro-3-methylphenyl)-2-(methoxymethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;hydroxide.

Molecular Properties

• Compound Name: sodium;dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;ethyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluoro-3-methylphenyl)-6-(methoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;4-[1-(4-fluoro-3-methylphenyl)-2-(methoxymethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;hydroxide
• PubChem CID: 159636161
• Molecular Formula: C101H60F2N5NaO8
• Molecular Weight: 1532.60 g/mol
• Exact Mass: 1531.43
• IUPAC Name: sodium;dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;ethyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluoro-3-methylphenyl)-6-(methoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;4-[1-(4-fluoro-3-methylphenyl)-2-(methoxymethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;hydroxide
• SMILES: C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.CCOC(=O)c1ccc(-c2c(COC)n(-c3ccc(F)c(C)c3)c3cc4cnn(C(=O)C(C)(C)C)c4cc23)cc1.COCc1c(-c2ccc(C(=O)O)cc2)c2cc3c(cc2n1-c1ccc(F)c(C)c1)C=NC3.[Na+].[OH-]
• InChI: InChI=1S/C42H2.C32H32FN3O4.C26H21FN2O3.CH4.Na.H2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-7-40-30(37)21-10-8-20(9-11-21)29-24-16-26-22(17-34-36(26)31(38)32(3,4)5)15-27(24)35(28(29)18-39-6)23-12-13-25(33)19(2)14-23;1-15-9-20(7-8-22(15)27)29-23-11-19-13-28-12-18(19)10-21(23)25(24(29)14-32-2)16-3-5-17(6-4-16)26(30)31;;;/h1-2H;8-17H,7,18H2,1-6H3;3-11,13H,12,14H2,1-2H3,(H,30,31);1H4;;1H2/q;;;;+1;/p-1
• InChIKey: MPTRFVBMTZOIAN-UHFFFAOYSA-M
• XLogP: 10.41
• TPSA: 169.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1532.60
LogP ≤ 5	10.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;ethyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluoro-3-methylphenyl)-6-(methoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;4-[1-(4-fluoro-3-methylphenyl)-2-(methoxymethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;hydroxide?

The IUPAC name of sodium;dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;ethyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluoro-3-methylphenyl)-6-(methoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;4-[1-(4-fluoro-3-methylphenyl)-2-(methoxymethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;hydroxide (CID 159636161) is sodium;dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;ethyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluoro-3-methylphenyl)-6-(methoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;4-[1-(4-fluoro-3-methylphenyl)-2-(methoxymethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;hydroxide.

What is the SMILES notation for sodium;dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;ethyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluoro-3-methylphenyl)-6-(methoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;4-[1-(4-fluoro-3-methylphenyl)-2-(methoxymethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;hydroxide?

The canonical SMILES for sodium;dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;ethyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluoro-3-methylphenyl)-6-(methoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;4-[1-(4-fluoro-3-methylphenyl)-2-(methoxymethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;hydroxide is C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.CCOC(=O)c1ccc(-c2c(COC)n(-c3ccc(F)c(C)c3)c3cc4cnn(C(=O)C(C)(C)C)c4cc23)cc1.COCc1c(-c2ccc(C(=O)O)cc2)c2cc3c(cc2n1-c1ccc(F)c(C)c1)C=NC3.[Na+].[OH-].

What is the InChIKey of sodium;dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;ethyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluoro-3-methylphenyl)-6-(methoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;4-[1-(4-fluoro-3-methylphenyl)-2-(methoxymethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;hydroxide?

The InChIKey is MPTRFVBMTZOIAN-UHFFFAOYSA-M. The full InChI is InChI=1S/C42H2.C32H32FN3O4.C26H21FN2O3.CH4.Na.H2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-7-40-30(37)21-10-8-20(9-11-21)29-24-16-26-22(17-34-36(26)31(38)32(3,4)5)15-27(24)35(28(29)18-39-6)23-12-13-25(33)19(2)14-23;1-15-9-20(7-8-22(15)27)29-23-11-19-13-28-12-18(19)10-21(23)25(24(29)14-32-2)16-3-5-17(6-4-16)26(30)31;;;/h1-2H;8-17H,7,18H2,1-6H3;3-11,13H,12,14H2,1-2H3,(H,30,31);1H4;;1H2/q;;;;+1;/p-1.

What are the key properties of sodium;dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;ethyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluoro-3-methylphenyl)-6-(methoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;4-[1-(4-fluoro-3-methylphenyl)-2-(methoxymethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;hydroxide?

sodium;dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;ethyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluoro-3-methylphenyl)-6-(methoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;4-[1-(4-fluoro-3-methylphenyl)-2-(methoxymethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;hydroxide has a molecular weight of 1532.60 g/mol, XLogP of 10.41, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;ethyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluoro-3-methylphenyl)-6-(methoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;4-[1-(4-fluoro-3-methylphenyl)-2-(methoxymethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;hydroxide is sourced from PubChem (CID 159636161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).