4-[(3-aminophenyl)-difluoromethyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[difluoro-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;prop-2-enoyl chloride

C126H154Cl2F12N28O10Si4 — CID 162121185

About 4-[(3-aminophenyl)-difluoromethyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[difluoro-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;prop-2-enoyl chloride

4-[(3-aminophenyl)-difluoromethyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[difluoro-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;prop-2-enoyl chloride (PubChem CID 162121185) has the molecular formula C126H154Cl2F12N28O10Si4 and a molecular weight of 2632.03 g/mol. Its IUPAC name is 4-[(3-aminophenyl)-difluoromethyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[difluoro-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 4-[(3-aminophenyl)-difluoromethyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[difluoro-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;prop-2-enoyl chloride
• PubChem CID: 162121185
• Molecular Formula: C126H154Cl2F12N28O10Si4
• Molecular Weight: 2632.03 g/mol
• Exact Mass: 2629.07
• IUPAC Name: 4-[(3-aminophenyl)-difluoromethyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[difluoro-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)Nc1cccc(C(F)(F)c2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3c2ccn3COCC[Si](C)(C)C)c1.CN1CCN(c2ccc(N)cc2F)CC1.CN1CCN(c2ccc(Nc3nc(C(F)(F)c4cccc(N)c4)c4ccn(COCC[Si](C)(C)C)c4n3)cc2F)CC1.CN1CCN(c2ccc(Nc3nc(C(F)(F)c4cccc([N+](=O)[O-])c4)c4ccn(COCC[Si](C)(C)C)c4n3)cc2F)CC1.C[Si](C)(C)CCOCn1ccc2c(C(F)(F)c3cccc([N+](=O)[O-])c3)nc(Cl)nc21
• InChI: InChI=1S/C33H40F3N7O2Si.C30H36F3N7O3Si.C30H38F3N7OSi.C19H21ClF2N4O3Si.C11H16FN3.C3H3ClO/c1-6-29(44)37-24-9-7-8-23(20-24)33(35,36)30-26-12-13-43(22-45-18-19-46(3,4)5)31(26)40-32(39-30)38-25-10-11-28(27(34)21-25)42-16-14-41(2)15-17-42;1-37-12-14-38(15-13-37)26-9-8-22(19-25(26)31)34-29-35-27(30(32,33)21-6-5-7-23(18-21)40(41)42)24-10-11-39(28(24)36-29)20-43-16-17-44(2,3)4;1-38-12-14-39(15-13-38)26-9-8-23(19-25(26)31)35-29-36-27(30(32,33)21-6-5-7-22(34)18-21)24-10-11-40(28(24)37-29)20-41-16-17-42(2,3)4;1-30(2,3)10-9-29-12-25-8-7-15-16(23-18(20)24-17(15)25)19(21,22)13-5-4-6-14(11-13)26(27)28;1-14-4-6-15(7-5-14)11-3-2-9(13)8-10(11)12;1-2-3(4)5/h6-13,20-21H,1,14-19,22H2,2-5H3,(H,37,44)(H,38,39,40);5-11,18-19H,12-17,20H2,1-4H3,(H,34,35,36);5-11,18-19H,12-17,20,34H2,1-4H3,(H,35,36,37);4-8,11H,9-10,12H2,1-3H3;2-3,8H,4-7,13H2,1H3;2H,1H2
• InChIKey: ZHKRGRPXQXRGMD-UHFFFAOYSA-N
• XLogP: 26.71
• TPSA: 406.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 43
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2632.03
LogP ≤ 5	26.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

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-aminophenyl)-difluoromethyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[difluoro-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;prop-2-enoyl chloride?

The IUPAC name of 4-[(3-aminophenyl)-difluoromethyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[difluoro-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;prop-2-enoyl chloride (CID 162121185) is 4-[(3-aminophenyl)-difluoromethyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[difluoro-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;prop-2-enoyl chloride.

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

The canonical SMILES for 4-[(3-aminophenyl)-difluoromethyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[difluoro-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)Nc1cccc(C(F)(F)c2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3c2ccn3COCC[Si](C)(C)C)c1.CN1CCN(c2ccc(N)cc2F)CC1.CN1CCN(c2ccc(Nc3nc(C(F)(F)c4cccc(N)c4)c4ccn(COCC[Si](C)(C)C)c4n3)cc2F)CC1.CN1CCN(c2ccc(Nc3nc(C(F)(F)c4cccc([N+](=O)[O-])c4)c4ccn(COCC[Si](C)(C)C)c4n3)cc2F)CC1.C[Si](C)(C)CCOCn1ccc2c(C(F)(F)c3cccc([N+](=O)[O-])c3)nc(Cl)nc21.

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

The InChIKey is ZHKRGRPXQXRGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40F3N7O2Si.C30H36F3N7O3Si.C30H38F3N7OSi.C19H21ClF2N4O3Si.C11H16FN3.C3H3ClO/c1-6-29(44)37-24-9-7-8-23(20-24)33(35,36)30-26-12-13-43(22-45-18-19-46(3,4)5)31(26)40-32(39-30)38-25-10-11-28(27(34)21-25)42-16-14-41(2)15-17-42;1-37-12-14-38(15-13-37)26-9-8-22(19-25(26)31)34-29-35-27(30(32,33)21-6-5-7-23(18-21)40(41)42)24-10-11-39(28(24)36-29)20-43-16-17-44(2,3)4;1-38-12-14-39(15-13-38)26-9-8-23(19-25(26)31)35-29-36-27(30(32,33)21-6-5-7-22(34)18-21)24-10-11-40(28(24)37-29)20-41-16-17-42(2,3)4;1-30(2,3)10-9-29-12-25-8-7-15-16(23-18(20)24-17(15)25)19(21,22)13-5-4-6-14(11-13)26(27)28;1-14-4-6-15(7-5-14)11-3-2-9(13)8-10(11)12;1-2-3(4)5/h6-13,20-21H,1,14-19,22H2,2-5H3,(H,37,44)(H,38,39,40);5-11,18-19H,12-17,20H2,1-4H3,(H,34,35,36);5-11,18-19H,12-17,20,34H2,1-4H3,(H,35,36,37);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-aminophenyl)-difluoromethyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[difluoro-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;prop-2-enoyl chloride?

4-[(3-aminophenyl)-difluoromethyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[difluoro-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;prop-2-enoyl chloride has a molecular weight of 2632.03 g/mol, XLogP of 26.71, 43 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-aminophenyl)-difluoromethyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[difluoro-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;prop-2-enoyl chloride is sourced from PubChem (CID 162121185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).