5-bromo-1-(4-fluorophenyl)indazole;5-bromo-1H-indazole;N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetamide;ethyl 2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetate;1-fluoro-4-iodobenzene;2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetic acid

C89H69Br2ClF5IN12O10 — CID 159268435

About 5-bromo-1-(4-fluorophenyl)indazole;5-bromo-1H-indazole;N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetamide;ethyl 2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetate;1-fluoro-4-iodobenzene;2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetic acid

5-bromo-1-(4-fluorophenyl)indazole;5-bromo-1H-indazole;N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetamide;ethyl 2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetate;1-fluoro-4-iodobenzene;2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetic acid (PubChem CID 159268435) has the molecular formula C89H69Br2ClF5IN12O10 and a molecular weight of 1883.76 g/mol. Its IUPAC name is 5-bromo-1-(4-fluorophenyl)indazole;5-bromo-1H-indazole;N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetamide;ethyl 2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetate;1-fluoro-4-iodobenzene;2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetic acid.

Molecular Properties

• Compound Name: 5-bromo-1-(4-fluorophenyl)indazole;5-bromo-1H-indazole;N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetamide;ethyl 2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetate;1-fluoro-4-iodobenzene;2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetic acid
• PubChem CID: 159268435
• Molecular Formula: C89H69Br2ClF5IN12O10
• Molecular Weight: 1883.76 g/mol
• Exact Mass: 1880.23
• IUPAC Name: 5-bromo-1-(4-fluorophenyl)indazole;5-bromo-1H-indazole;N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetamide;ethyl 2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetate;1-fluoro-4-iodobenzene;2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetic acid
• SMILES: Brc1ccc2[nH]ncc2c1.CCOC(=O)C(=O)c1ccc2c(cnn2-c2ccc(F)cc2)c1.Fc1ccc(-n2ncc3cc(Br)ccc32)cc1.Fc1ccc(I)cc1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1)C(=O)c1ccc2c(cnn2-c2ccc(F)cc2)c1.O=C(O)C(=O)c1ccc2c(cnn2-c2ccc(F)cc2)c1
• InChI: InChI=1S/C31H30ClFN4O4.C17H13FN2O3.C15H9FN2O3.C13H8BrFN2.C7H5BrN2.C6H4FI/c32-25-16-20(4-12-28(25)41-24-9-10-24)29(38)26(18-36-13-1-2-14-36)35-31(40)30(39)19-3-11-27-21(15-19)17-34-37(27)23-7-5-22(33)6-8-23;1-2-23-17(22)16(21)11-3-8-15-12(9-11)10-19-20(15)14-6-4-13(18)5-7-14;16-11-2-4-12(5-3-11)18-13-6-1-9(14(19)15(20)21)7-10(13)8-17-18;14-10-1-6-13-9(7-10)8-16-17(13)12-4-2-11(15)3-5-12;8-6-1-2-7-5(3-6)4-9-10-7;7-5-1-3-6(8)4-2-5/h3-8,11-12,15-17,24,26,29,38H,1-2,9-10,13-14,18H2,(H,35,40);3-10H,2H2,1H3;1-8H,(H,20,21);1-8H;1-4H,(H,9,10);1-4H/t26-,29-;;;;;/m1...../s1
• InChIKey: KXJZKMUDVBJMHZ-DXQRDCFHSA-N
• XLogP: 18.88
• TPSA: 276.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1883.76
LogP ≤ 5	18.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-fluorophenyl)indazole;5-bromo-1H-indazole;N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetamide;ethyl 2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetate;1-fluoro-4-iodobenzene;2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetic acid?

The IUPAC name of 5-bromo-1-(4-fluorophenyl)indazole;5-bromo-1H-indazole;N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetamide;ethyl 2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetate;1-fluoro-4-iodobenzene;2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetic acid (CID 159268435) is 5-bromo-1-(4-fluorophenyl)indazole;5-bromo-1H-indazole;N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetamide;ethyl 2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetate;1-fluoro-4-iodobenzene;2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetic acid.

What is the SMILES notation for 5-bromo-1-(4-fluorophenyl)indazole;5-bromo-1H-indazole;N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetamide;ethyl 2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetate;1-fluoro-4-iodobenzene;2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetic acid?

The canonical SMILES for 5-bromo-1-(4-fluorophenyl)indazole;5-bromo-1H-indazole;N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetamide;ethyl 2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetate;1-fluoro-4-iodobenzene;2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetic acid is Brc1ccc2[nH]ncc2c1.CCOC(=O)C(=O)c1ccc2c(cnn2-c2ccc(F)cc2)c1.Fc1ccc(-n2ncc3cc(Br)ccc32)cc1.Fc1ccc(I)cc1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1)C(=O)c1ccc2c(cnn2-c2ccc(F)cc2)c1.O=C(O)C(=O)c1ccc2c(cnn2-c2ccc(F)cc2)c1.

What is the InChIKey of 5-bromo-1-(4-fluorophenyl)indazole;5-bromo-1H-indazole;N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetamide;ethyl 2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetate;1-fluoro-4-iodobenzene;2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetic acid?

The InChIKey is KXJZKMUDVBJMHZ-DXQRDCFHSA-N. The full InChI is InChI=1S/C31H30ClFN4O4.C17H13FN2O3.C15H9FN2O3.C13H8BrFN2.C7H5BrN2.C6H4FI/c32-25-16-20(4-12-28(25)41-24-9-10-24)29(38)26(18-36-13-1-2-14-36)35-31(40)30(39)19-3-11-27-21(15-19)17-34-37(27)23-7-5-22(33)6-8-23;1-2-23-17(22)16(21)11-3-8-15-12(9-11)10-19-20(15)14-6-4-13(18)5-7-14;16-11-2-4-12(5-3-11)18-13-6-1-9(14(19)15(20)21)7-10(13)8-17-18;14-10-1-6-13-9(7-10)8-16-17(13)12-4-2-11(15)3-5-12;8-6-1-2-7-5(3-6)4-9-10-7;7-5-1-3-6(8)4-2-5/h3-8,11-12,15-17,24,26,29,38H,1-2,9-10,13-14,18H2,(H,35,40);3-10H,2H2,1H3;1-8H,(H,20,21);1-8H;1-4H,(H,9,10);1-4H/t26-,29-;;;;;/m1...../s1.

What are the key properties of 5-bromo-1-(4-fluorophenyl)indazole;5-bromo-1H-indazole;N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetamide;ethyl 2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetate;1-fluoro-4-iodobenzene;2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetic acid?

5-bromo-1-(4-fluorophenyl)indazole;5-bromo-1H-indazole;N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetamide;ethyl 2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetate;1-fluoro-4-iodobenzene;2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetic acid has a molecular weight of 1883.76 g/mol, XLogP of 18.88, 18 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-(4-fluorophenyl)indazole;5-bromo-1H-indazole;N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetamide;ethyl 2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetate;1-fluoro-4-iodobenzene;2-[1-(4-fluorophenyl)indazol-5-yl]-2-oxoacetic acid is sourced from PubChem (CID 159268435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).