tert-butyl N-(3-hydroxyphenyl)carbamate;tert-butyl N-[3-[5-pyridin-3-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]carbamate;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;2-[[5-iodo-4-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid;N-[3-[(5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]prop-2-enamide

C108H132BCl3I3N21O14Si4 — CID 160935705

About tert-butyl N-(3-hydroxyphenyl)carbamate;tert-butyl N-[3-[5-pyridin-3-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]carbamate;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;2-[[5-iodo-4-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid;N-[3-[(5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]prop-2-enamide

tert-butyl N-(3-hydroxyphenyl)carbamate;tert-butyl N-[3-[5-pyridin-3-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]carbamate;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;2-[[5-iodo-4-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid;N-[3-[(5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]prop-2-enamide (PubChem CID 160935705) has the molecular formula C108H132BCl3I3N21O14Si4 and a molecular weight of 2558.60 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxyphenyl)carbamate;tert-butyl N-[3-[5-pyridin-3-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]carbamate;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;2-[[5-iodo-4-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid;N-[3-[(5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: tert-butyl N-(3-hydroxyphenyl)carbamate;tert-butyl N-[3-[5-pyridin-3-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]carbamate;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;2-[[5-iodo-4-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid;N-[3-[(5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]prop-2-enamide
• PubChem CID: 160935705
• Molecular Formula: C108H132BCl3I3N21O14Si4
• Molecular Weight: 2558.60 g/mol
• Exact Mass: 2555.56
• IUPAC Name: tert-butyl N-(3-hydroxyphenyl)carbamate;tert-butyl N-[3-[5-pyridin-3-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]carbamate;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;2-[[5-iodo-4-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid;N-[3-[(5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cccc(Oc2ncnc3[nH]cc(-c4cccnc4)c23)c1.CC(C)(C)OC(=O)Nc1cccc(O)c1.CC(C)(C)OC(=O)Nc1cccc(Oc2ncnc3c2c(-c2cccnc2)cn3COCC[Si](C)(C)C)c1.C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1cc(I)c2c(Cl)ncnc21.Cc1cccc(Cc2ncnc3c2c(I)cn3COCC[Si](C)(C)C)c1.Clc1ncnc2[nH]cc(I)c12.OB(O)c1cccnc1
• InChI: InChI=1S/C28H35N5O4Si.C20H26IN3OSi.C20H15N5O2.C12H17ClIN3OSi.C11H15NO3.C6H3ClIN3.C6H15ClOSi.C5H6BNO2/c1-28(2,3)37-27(34)32-21-10-7-11-22(15-21)36-26-24-23(20-9-8-12-29-16-20)17-33(25(24)30-18-31-26)19-35-13-14-38(4,5)6;1-15-6-5-7-16(10-15)11-18-19-17(21)12-24(20(19)23-13-22-18)14-25-8-9-26(2,3)4;1-2-17(26)25-14-6-3-7-15(9-14)27-20-18-16(13-5-4-8-21-10-13)11-22-19(18)23-12-24-20;1-19(2,3)5-4-18-8-17-6-9(14)10-11(13)15-7-16-12(10)17;1-11(2,3)15-10(14)12-8-5-4-6-9(13)7-8;7-5-4-3(8)1-9-6(4)11-2-10-5;1-9(2,3)5-4-8-6-7;8-6(9)5-2-1-3-7-4-5/h7-12,15-18H,13-14,19H2,1-6H3,(H,32,34);5-7,10,12-13H,8-9,11,14H2,1-4H3;2-12H,1H2,(H,25,26)(H,22,23,24);6-7H,4-5,8H2,1-3H3;4-7,13H,1-3H3,(H,12,14);1-2H,(H,9,10,11);4-6H2,1-3H3;1-4,8-9H
• InChIKey: STVRMZPOAQVKCW-UHFFFAOYSA-N
• XLogP: 26.38
• TPSA: 435.77 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 32
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2558.60
LogP ≤ 5	26.38
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-hydroxyphenyl)carbamate;tert-butyl N-[3-[5-pyridin-3-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]carbamate;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;2-[[5-iodo-4-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid;N-[3-[(5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]prop-2-enamide?

The IUPAC name of tert-butyl N-(3-hydroxyphenyl)carbamate;tert-butyl N-[3-[5-pyridin-3-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]carbamate;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;2-[[5-iodo-4-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid;N-[3-[(5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]prop-2-enamide (CID 160935705) is tert-butyl N-(3-hydroxyphenyl)carbamate;tert-butyl N-[3-[5-pyridin-3-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]carbamate;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;2-[[5-iodo-4-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid;N-[3-[(5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]prop-2-enamide.

What is the SMILES notation for tert-butyl N-(3-hydroxyphenyl)carbamate;tert-butyl N-[3-[5-pyridin-3-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]carbamate;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;2-[[5-iodo-4-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid;N-[3-[(5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]prop-2-enamide?

The canonical SMILES for tert-butyl N-(3-hydroxyphenyl)carbamate;tert-butyl N-[3-[5-pyridin-3-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]carbamate;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;2-[[5-iodo-4-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid;N-[3-[(5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(Oc2ncnc3[nH]cc(-c4cccnc4)c23)c1.CC(C)(C)OC(=O)Nc1cccc(O)c1.CC(C)(C)OC(=O)Nc1cccc(Oc2ncnc3c2c(-c2cccnc2)cn3COCC[Si](C)(C)C)c1.C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1cc(I)c2c(Cl)ncnc21.Cc1cccc(Cc2ncnc3c2c(I)cn3COCC[Si](C)(C)C)c1.Clc1ncnc2[nH]cc(I)c12.OB(O)c1cccnc1.

What is the InChIKey of tert-butyl N-(3-hydroxyphenyl)carbamate;tert-butyl N-[3-[5-pyridin-3-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]carbamate;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;2-[[5-iodo-4-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid;N-[3-[(5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]prop-2-enamide?

The InChIKey is STVRMZPOAQVKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O4Si.C20H26IN3OSi.C20H15N5O2.C12H17ClIN3OSi.C11H15NO3.C6H3ClIN3.C6H15ClOSi.C5H6BNO2/c1-28(2,3)37-27(34)32-21-10-7-11-22(15-21)36-26-24-23(20-9-8-12-29-16-20)17-33(25(24)30-18-31-26)19-35-13-14-38(4,5)6;1-15-6-5-7-16(10-15)11-18-19-17(21)12-24(20(19)23-13-22-18)14-25-8-9-26(2,3)4;1-2-17(26)25-14-6-3-7-15(9-14)27-20-18-16(13-5-4-8-21-10-13)11-22-19(18)23-12-24-20;1-19(2,3)5-4-18-8-17-6-9(14)10-11(13)15-7-16-12(10)17;1-11(2,3)15-10(14)12-8-5-4-6-9(13)7-8;7-5-4-3(8)1-9-6(4)11-2-10-5;1-9(2,3)5-4-8-6-7;8-6(9)5-2-1-3-7-4-5/h7-12,15-18H,13-14,19H2,1-6H3,(H,32,34);5-7,10,12-13H,8-9,11,14H2,1-4H3;2-12H,1H2,(H,25,26)(H,22,23,24);6-7H,4-5,8H2,1-3H3;4-7,13H,1-3H3,(H,12,14);1-2H,(H,9,10,11);4-6H2,1-3H3;1-4,8-9H.

What are the key properties of tert-butyl N-(3-hydroxyphenyl)carbamate;tert-butyl N-[3-[5-pyridin-3-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]carbamate;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;2-[[5-iodo-4-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid;N-[3-[(5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]prop-2-enamide?

tert-butyl N-(3-hydroxyphenyl)carbamate;tert-butyl N-[3-[5-pyridin-3-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]carbamate;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;2-[[5-iodo-4-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid;N-[3-[(5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]prop-2-enamide has a molecular weight of 2558.60 g/mol, XLogP of 26.38, 32 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(3-hydroxyphenyl)carbamate;tert-butyl N-[3-[5-pyridin-3-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]carbamate;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;2-[[5-iodo-4-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid;N-[3-[(5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]prop-2-enamide is sourced from PubChem (CID 160935705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).