4-[(3-aminophenyl)-difluoromethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-[difluoro-[7-(hydroxymethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;methane;methanol;prop-2-enoyl chloride

C123H147ClF8N28O8Si2 — CID 162123553

About 4-[(3-aminophenyl)-difluoromethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-[difluoro-[7-(hydroxymethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;methane;methanol;prop-2-enoyl chloride

4-[(3-aminophenyl)-difluoromethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-[difluoro-[7-(hydroxymethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;methane;methanol;prop-2-enoyl chloride (PubChem CID 162123553) has the molecular formula C123H147ClF8N28O8Si2 and a molecular weight of 2389.33 g/mol. Its IUPAC name is 4-[(3-aminophenyl)-difluoromethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-[difluoro-[7-(hydroxymethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;methane;methanol;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 4-[(3-aminophenyl)-difluoromethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-[difluoro-[7-(hydroxymethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;methane;methanol;prop-2-enoyl chloride
• PubChem CID: 162123553
• Molecular Formula: C123H147ClF8N28O8Si2
• Molecular Weight: 2389.33 g/mol
• Exact Mass: 2387.11
• IUPAC Name: 4-[(3-aminophenyl)-difluoromethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-[difluoro-[7-(hydroxymethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;methane;methanol;prop-2-enoyl chloride
• SMILES: C.C=CC(=O)Cl.C=CC(=O)Nc1cccc(C(F)(F)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3[nH]ccc23)c1.C=CC(=O)Nc1cccc(C(F)(F)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3c2ccn3CO)c1.C=CC(=O)Nc1cccc(C(F)(F)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3c2ccn3COCC[Si](C)(C)C)c1.CN1CCN(c2ccc(Nc3nc(C(F)(F)c4cccc(N)c4)c4ccn(COCC[Si](C)(C)C)c4n3)cc2)CC1.CO
• InChI: InChI=1S/C33H41F2N7O2Si.C30H39F2N7OSi.C28H29F2N7O2.C27H27F2N7O.C3H3ClO.CH4O.CH4/c1-6-29(43)36-26-9-7-8-24(22-26)33(34,35)30-28-14-15-42(23-44-20-21-45(3,4)5)31(28)39-32(38-30)37-25-10-12-27(13-11-25)41-18-16-40(2)17-19-41;1-37-14-16-38(17-15-37)25-10-8-24(9-11-25)34-29-35-27(30(31,32)22-6-5-7-23(33)20-22)26-12-13-39(28(26)36-29)21-40-18-19-41(2,3)4;1-3-24(39)31-21-6-4-5-19(17-21)28(29,30)25-23-11-12-37(18-38)26(23)34-27(33-25)32-20-7-9-22(10-8-20)36-15-13-35(2)14-16-36;1-3-23(37)31-20-6-4-5-18(17-20)27(28,29)24-22-11-12-30-25(22)34-26(33-24)32-19-7-9-21(10-8-19)36-15-13-35(2)14-16-36;1-2-3(4)5;1-2;/h6-15,22H,1,16-21,23H2,2-5H3,(H,36,43)(H,37,38,39);5-13,20H,14-19,21,33H2,1-4H3,(H,34,35,36);3-12,17,38H,1,13-16,18H2,2H3,(H,31,39)(H,32,33,34);3-12,17H,1,13-16H2,2H3,(H,31,37)(H2,30,32,33,34);2H,1H2;2H,1H3;1H4
• InChIKey: ZHSPRNHKRTZQLV-UHFFFAOYSA-N
• XLogP: 22.51
• TPSA: 397.05 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 38
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2389.33
LogP ≤ 5	22.51
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

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-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-[difluoro-[7-(hydroxymethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;methane;methanol;prop-2-enoyl chloride?

The IUPAC name of 4-[(3-aminophenyl)-difluoromethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-[difluoro-[7-(hydroxymethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;methane;methanol;prop-2-enoyl chloride (CID 162123553) is 4-[(3-aminophenyl)-difluoromethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-[difluoro-[7-(hydroxymethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;methane;methanol;prop-2-enoyl chloride.

What is the SMILES notation for 4-[(3-aminophenyl)-difluoromethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-[difluoro-[7-(hydroxymethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;methane;methanol;prop-2-enoyl chloride?

The canonical SMILES for 4-[(3-aminophenyl)-difluoromethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-[difluoro-[7-(hydroxymethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;methane;methanol;prop-2-enoyl chloride is C.C=CC(=O)Cl.C=CC(=O)Nc1cccc(C(F)(F)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3[nH]ccc23)c1.C=CC(=O)Nc1cccc(C(F)(F)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3c2ccn3CO)c1.C=CC(=O)Nc1cccc(C(F)(F)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3c2ccn3COCC[Si](C)(C)C)c1.CN1CCN(c2ccc(Nc3nc(C(F)(F)c4cccc(N)c4)c4ccn(COCC[Si](C)(C)C)c4n3)cc2)CC1.CO.

What is the InChIKey of 4-[(3-aminophenyl)-difluoromethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-[difluoro-[7-(hydroxymethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;methane;methanol;prop-2-enoyl chloride?

The InChIKey is ZHSPRNHKRTZQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41F2N7O2Si.C30H39F2N7OSi.C28H29F2N7O2.C27H27F2N7O.C3H3ClO.CH4O.CH4/c1-6-29(43)36-26-9-7-8-24(22-26)33(34,35)30-28-14-15-42(23-44-20-21-45(3,4)5)31(28)39-32(38-30)37-25-10-12-27(13-11-25)41-18-16-40(2)17-19-41;1-37-14-16-38(17-15-37)25-10-8-24(9-11-25)34-29-35-27(30(31,32)22-6-5-7-23(33)20-22)26-12-13-39(28(26)36-29)21-40-18-19-41(2,3)4;1-3-24(39)31-21-6-4-5-19(17-21)28(29,30)25-23-11-12-37(18-38)26(23)34-27(33-25)32-20-7-9-22(10-8-20)36-15-13-35(2)14-16-36;1-3-23(37)31-20-6-4-5-18(17-20)27(28,29)24-22-11-12-30-25(22)34-26(33-24)32-19-7-9-21(10-8-19)36-15-13-35(2)14-16-36;1-2-3(4)5;1-2;/h6-15,22H,1,16-21,23H2,2-5H3,(H,36,43)(H,37,38,39);5-13,20H,14-19,21,33H2,1-4H3,(H,34,35,36);3-12,17,38H,1,13-16,18H2,2H3,(H,31,39)(H,32,33,34);3-12,17H,1,13-16H2,2H3,(H,31,37)(H2,30,32,33,34);2H,1H2;2H,1H3;1H4.

What are the key properties of 4-[(3-aminophenyl)-difluoromethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-[difluoro-[7-(hydroxymethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;methane;methanol;prop-2-enoyl chloride?

4-[(3-aminophenyl)-difluoromethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-[difluoro-[7-(hydroxymethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;methane;methanol;prop-2-enoyl chloride has a molecular weight of 2389.33 g/mol, XLogP of 22.51, 38 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-aminophenyl)-difluoromethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-[difluoro-[7-(hydroxymethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;methane;methanol;prop-2-enoyl chloride is sourced from PubChem (CID 162123553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).