tert-butyl N-(3-fluoro-4-hydroxyphenyl)carbamate;tert-butyl N-[3-fluoro-4-[2-phenyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]carbamate;2-[(4-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylic acid;3-fluoro-4-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]aniline;phenylboronic acid

C130H148BCl4F3IN17O16Si4 — CID 159773874

About tert-butyl N-(3-fluoro-4-hydroxyphenyl)carbamate;tert-butyl N-[3-fluoro-4-[2-phenyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]carbamate;2-[(4-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylic acid;3-fluoro-4-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]aniline;phenylboronic acid

tert-butyl N-(3-fluoro-4-hydroxyphenyl)carbamate;tert-butyl N-[3-fluoro-4-[2-phenyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]carbamate;2-[(4-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylic acid;3-fluoro-4-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]aniline;phenylboronic acid (PubChem CID 159773874) has the molecular formula C130H148BCl4F3IN17O16Si4 and a molecular weight of 2653.58 g/mol. Its IUPAC name is tert-butyl N-(3-fluoro-4-hydroxyphenyl)carbamate;tert-butyl N-[3-fluoro-4-[2-phenyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]carbamate;2-[(4-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylic acid;3-fluoro-4-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]aniline;phenylboronic acid.

Molecular Properties

• Compound Name: tert-butyl N-(3-fluoro-4-hydroxyphenyl)carbamate;tert-butyl N-[3-fluoro-4-[2-phenyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]carbamate;2-[(4-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylic acid;3-fluoro-4-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]aniline;phenylboronic acid
• PubChem CID: 159773874
• Molecular Formula: C130H148BCl4F3IN17O16Si4
• Molecular Weight: 2653.58 g/mol
• Exact Mass: 2649.82
• IUPAC Name: tert-butyl N-(3-fluoro-4-hydroxyphenyl)carbamate;tert-butyl N-[3-fluoro-4-[2-phenyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]carbamate;2-[(4-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylic acid;3-fluoro-4-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]aniline;phenylboronic acid
• SMILES: CC(C)(C)OC(=O)Nc1ccc(O)c(F)c1.CC(C)(C)OC(=O)Nc1ccc(Oc2ccnc3c2cc(-c2ccccc2)n3COCC[Si](C)(C)C)c(F)c1.C[Si](C)(C)CCOCn1c(-c2ccccc2)cc2c(Cl)ccnc21.C[Si](C)(C)CCOCn1c(I)cc2c(Cl)ccnc21.C[Si](C)(C)CCOCn1ccc2c(Cl)ccnc21.Cc1c(C(=O)O)c(=O)n(-c2ccccc2)n1C.Clc1ccnc2[nH]ccc12.Nc1ccc(Oc2ccnc3[nH]c(-c4ccccc4)cc23)c(F)c1.OB(O)c1ccccc1
• InChI: InChI=1S/C30H36FN3O4Si.C19H23ClN2OSi.C19H14FN3O.C13H18ClIN2OSi.C13H19ClN2OSi.C12H12N2O3.C11H14FNO3.C7H5ClN2.C6H7BO2/c1-30(2,3)38-29(35)33-22-12-13-27(24(31)18-22)37-26-14-15-32-28-23(26)19-25(21-10-8-7-9-11-21)34(28)20-36-16-17-39(4,5)6;1-24(2,3)12-11-23-14-22-18(15-7-5-4-6-8-15)13-16-17(20)9-10-21-19(16)22;20-15-10-13(21)6-7-18(15)24-17-8-9-22-19-14(17)11-16(23-19)12-4-2-1-3-5-12;1-19(2,3)7-6-18-9-17-12(15)8-10-11(14)4-5-16-13(10)17;1-18(2,3)9-8-17-10-16-7-5-11-12(14)4-6-15-13(11)16;1-8-10(12(16)17)11(15)14(13(8)2)9-6-4-3-5-7-9;1-11(2,3)16-10(15)13-7-4-5-9(14)8(12)6-7;8-6-2-4-10-7-5(6)1-3-9-7;8-7(9)6-4-2-1-3-5-6/h7-15,18-19H,16-17,20H2,1-6H3,(H,33,35);4-10,13H,11-12,14H2,1-3H3;1-11H,21H2,(H,22,23);4-5,8H,6-7,9H2,1-3H3;4-7H,8-10H2,1-3H3;3-7H,1-2H3,(H,16,17);4-6,14H,1-3H3,(H,13,15);1-4H,(H,9,10);1-5,8-9H
• InChIKey: NGLZMBNIQCMHGV-UHFFFAOYSA-N
• XLogP: 32.96
• TPSA: 411.62 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2653.58
LogP ≤ 5	32.96
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-fluoro-4-hydroxyphenyl)carbamate;tert-butyl N-[3-fluoro-4-[2-phenyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]carbamate;2-[(4-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylic acid;3-fluoro-4-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]aniline;phenylboronic acid?

The IUPAC name of tert-butyl N-(3-fluoro-4-hydroxyphenyl)carbamate;tert-butyl N-[3-fluoro-4-[2-phenyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]carbamate;2-[(4-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylic acid;3-fluoro-4-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]aniline;phenylboronic acid (CID 159773874) is tert-butyl N-(3-fluoro-4-hydroxyphenyl)carbamate;tert-butyl N-[3-fluoro-4-[2-phenyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]carbamate;2-[(4-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylic acid;3-fluoro-4-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]aniline;phenylboronic acid.

What is the SMILES notation for tert-butyl N-(3-fluoro-4-hydroxyphenyl)carbamate;tert-butyl N-[3-fluoro-4-[2-phenyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]carbamate;2-[(4-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylic acid;3-fluoro-4-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]aniline;phenylboronic acid?

The canonical SMILES for tert-butyl N-(3-fluoro-4-hydroxyphenyl)carbamate;tert-butyl N-[3-fluoro-4-[2-phenyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]carbamate;2-[(4-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylic acid;3-fluoro-4-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]aniline;phenylboronic acid is CC(C)(C)OC(=O)Nc1ccc(O)c(F)c1.CC(C)(C)OC(=O)Nc1ccc(Oc2ccnc3c2cc(-c2ccccc2)n3COCC[Si](C)(C)C)c(F)c1.C[Si](C)(C)CCOCn1c(-c2ccccc2)cc2c(Cl)ccnc21.C[Si](C)(C)CCOCn1c(I)cc2c(Cl)ccnc21.C[Si](C)(C)CCOCn1ccc2c(Cl)ccnc21.Cc1c(C(=O)O)c(=O)n(-c2ccccc2)n1C.Clc1ccnc2[nH]ccc12.Nc1ccc(Oc2ccnc3[nH]c(-c4ccccc4)cc23)c(F)c1.OB(O)c1ccccc1.

What is the InChIKey of tert-butyl N-(3-fluoro-4-hydroxyphenyl)carbamate;tert-butyl N-[3-fluoro-4-[2-phenyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]carbamate;2-[(4-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylic acid;3-fluoro-4-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]aniline;phenylboronic acid?

The InChIKey is NGLZMBNIQCMHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36FN3O4Si.C19H23ClN2OSi.C19H14FN3O.C13H18ClIN2OSi.C13H19ClN2OSi.C12H12N2O3.C11H14FNO3.C7H5ClN2.C6H7BO2/c1-30(2,3)38-29(35)33-22-12-13-27(24(31)18-22)37-26-14-15-32-28-23(26)19-25(21-10-8-7-9-11-21)34(28)20-36-16-17-39(4,5)6;1-24(2,3)12-11-23-14-22-18(15-7-5-4-6-8-15)13-16-17(20)9-10-21-19(16)22;20-15-10-13(21)6-7-18(15)24-17-8-9-22-19-14(17)11-16(23-19)12-4-2-1-3-5-12;1-19(2,3)7-6-18-9-17-12(15)8-10-11(14)4-5-16-13(10)17;1-18(2,3)9-8-17-10-16-7-5-11-12(14)4-6-15-13(11)16;1-8-10(12(16)17)11(15)14(13(8)2)9-6-4-3-5-7-9;1-11(2,3)16-10(15)13-7-4-5-9(14)8(12)6-7;8-6-2-4-10-7-5(6)1-3-9-7;8-7(9)6-4-2-1-3-5-6/h7-15,18-19H,16-17,20H2,1-6H3,(H,33,35);4-10,13H,11-12,14H2,1-3H3;1-11H,21H2,(H,22,23);4-5,8H,6-7,9H2,1-3H3;4-7H,8-10H2,1-3H3;3-7H,1-2H3,(H,16,17);4-6,14H,1-3H3,(H,13,15);1-4H,(H,9,10);1-5,8-9H.

What are the key properties of tert-butyl N-(3-fluoro-4-hydroxyphenyl)carbamate;tert-butyl N-[3-fluoro-4-[2-phenyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]carbamate;2-[(4-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylic acid;3-fluoro-4-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]aniline;phenylboronic acid?

tert-butyl N-(3-fluoro-4-hydroxyphenyl)carbamate;tert-butyl N-[3-fluoro-4-[2-phenyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]carbamate;2-[(4-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylic acid;3-fluoro-4-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]aniline;phenylboronic acid has a molecular weight of 2653.58 g/mol, XLogP of 32.96, 32 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(3-fluoro-4-hydroxyphenyl)carbamate;tert-butyl N-[3-fluoro-4-[2-phenyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]carbamate;2-[(4-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylic acid;3-fluoro-4-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]aniline;phenylboronic acid is sourced from PubChem (CID 159773874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).