4-(3-aminophenoxy)-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;prop-2-enoyl chloride

C90H114Cl2F3N21O11Si3 — CID 160610097

About 4-(3-aminophenoxy)-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;prop-2-enoyl chloride

4-(3-aminophenoxy)-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;prop-2-enoyl chloride (PubChem CID 160610097) has the molecular formula C90H114Cl2F3N21O11Si3 and a molecular weight of 1878.20 g/mol. Its IUPAC name is 4-(3-aminophenoxy)-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 4-(3-aminophenoxy)-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;prop-2-enoyl chloride
• PubChem CID: 160610097
• Molecular Formula: C90H114Cl2F3N21O11Si3
• Molecular Weight: 1878.20 g/mol
• Exact Mass: 1875.76
• IUPAC Name: 4-(3-aminophenoxy)-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.CN1CCN(c2ccc(N)cc2F)CC1.CN1CCN(c2ccc(Nc3nc(Oc4cccc(N)c4)c4ccn(COCC[Si](C)(C)C)c4n3)cc2F)CC1.CN1CCN(c2ccc(Nc3nc(Oc4cccc([N+](=O)[O-])c4)c4ccn(COCC[Si](C)(C)C)c4n3)cc2F)CC1.C[Si](C)(C)CCOCn1ccc2c(Oc3cccc([N+](=O)[O-])c3)nc(Cl)nc21
• InChI: InChI=1S/C29H36FN7O4Si.C29H38FN7O2Si.C18H21ClN4O4Si.C11H16FN3.C3H3ClO/c1-34-12-14-35(15-13-34)26-9-8-21(18-25(26)30)31-29-32-27-24(10-11-36(27)20-40-16-17-42(2,3)4)28(33-29)41-23-7-5-6-22(19-23)37(38)39;1-35-12-14-36(15-13-35)26-9-8-22(19-25(26)30)32-29-33-27-24(10-11-37(27)20-38-16-17-40(2,3)4)28(34-29)39-23-7-5-6-21(31)18-23;1-28(2,3)10-9-26-12-22-8-7-15-16(22)20-18(19)21-17(15)27-14-6-4-5-13(11-14)23(24)25;1-14-4-6-15(7-5-14)11-3-2-9(13)8-10(11)12;1-2-3(4)5/h5-11,18-19H,12-17,20H2,1-4H3,(H,31,32,33);5-11,18-19H,12-17,20,31H2,1-4H3,(H,32,33,34);4-8,11H,9-10,12H2,1-3H3;2-3,8H,4-7,13H2,1H3;2H,1H2
• InChIKey: RFKBRFGCWVKENM-UHFFFAOYSA-N
• XLogP: 19.03
• TPSA: 346.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 31
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1878.20
LogP ≤ 5	19.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenoxy)-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;prop-2-enoyl chloride?

The IUPAC name of 4-(3-aminophenoxy)-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;prop-2-enoyl chloride (CID 160610097) is 4-(3-aminophenoxy)-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;prop-2-enoyl chloride.

What is the SMILES notation for 4-(3-aminophenoxy)-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;prop-2-enoyl chloride?

The canonical SMILES for 4-(3-aminophenoxy)-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;prop-2-enoyl chloride is C=CC(=O)Cl.CN1CCN(c2ccc(N)cc2F)CC1.CN1CCN(c2ccc(Nc3nc(Oc4cccc(N)c4)c4ccn(COCC[Si](C)(C)C)c4n3)cc2F)CC1.CN1CCN(c2ccc(Nc3nc(Oc4cccc([N+](=O)[O-])c4)c4ccn(COCC[Si](C)(C)C)c4n3)cc2F)CC1.C[Si](C)(C)CCOCn1ccc2c(Oc3cccc([N+](=O)[O-])c3)nc(Cl)nc21.

What is the InChIKey of 4-(3-aminophenoxy)-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;prop-2-enoyl chloride?

The InChIKey is RFKBRFGCWVKENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36FN7O4Si.C29H38FN7O2Si.C18H21ClN4O4Si.C11H16FN3.C3H3ClO/c1-34-12-14-35(15-13-34)26-9-8-21(18-25(26)30)31-29-32-27-24(10-11-36(27)20-40-16-17-42(2,3)4)28(33-29)41-23-7-5-6-22(19-23)37(38)39;1-35-12-14-36(15-13-35)26-9-8-22(19-25(26)30)32-29-33-27-24(10-11-37(27)20-38-16-17-40(2,3)4)28(34-29)39-23-7-5-6-21(31)18-23;1-28(2,3)10-9-26-12-22-8-7-15-16(22)20-18(19)21-17(15)27-14-6-4-5-13(11-14)23(24)25;1-14-4-6-15(7-5-14)11-3-2-9(13)8-10(11)12;1-2-3(4)5/h5-11,18-19H,12-17,20H2,1-4H3,(H,31,32,33);5-11,18-19H,12-17,20,31H2,1-4H3,(H,32,33,34);4-8,11H,9-10,12H2,1-3H3;2-3,8H,4-7,13H2,1H3;2H,1H2.

What are the key properties of 4-(3-aminophenoxy)-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;prop-2-enoyl chloride?

4-(3-aminophenoxy)-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;prop-2-enoyl chloride has a molecular weight of 1878.20 g/mol, XLogP of 19.03, 31 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-aminophenoxy)-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;prop-2-enoyl chloride is sourced from PubChem (CID 160610097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).