2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[(4-methylpiperazin-1-yl)methyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;3-fluoropyridin-4-amine;1-methylpiperazine

C117H141F11N30O6Si3 — CID 162202766

About 2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[(4-methylpiperazin-1-yl)methyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;3-fluoropyridin-4-amine;1-methylpiperazine

2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[(4-methylpiperazin-1-yl)methyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;3-fluoropyridin-4-amine;1-methylpiperazine (PubChem CID 162202766) has the molecular formula C117H141F11N30O6Si3 and a molecular weight of 2356.85 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[(4-methylpiperazin-1-yl)methyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;3-fluoropyridin-4-amine;1-methylpiperazine.

Molecular Properties

• Compound Name: 2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[(4-methylpiperazin-1-yl)methyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;3-fluoropyridin-4-amine;1-methylpiperazine
• PubChem CID: 162202766
• Molecular Formula: C117H141F11N30O6Si3
• Molecular Weight: 2356.85 g/mol
• Exact Mass: 2355.08
• IUPAC Name: 2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[(4-methylpiperazin-1-yl)methyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;3-fluoropyridin-4-amine;1-methylpiperazine
• SMILES: CN1CCN(Cc2c[nH]c3nc(-c4cccc(C(F)F)n4)nc(Nc4ccncc4F)c23)CC1.CN1CCN(Cc2cn(COCC[Si](C)(C)C)c3nc(-c4cccc(C(F)F)n4)nc(Nc4ccncc4F)c23)CC1.CN1CCN(Cc2cn(COCC[Si](C)(C)C)c3nc(-c4cccc(C(F)F)n4)nc(Oc4ccccc4)c23)CC1.CN1CCNCC1.C[Si](C)(C)CCOCn1cc(C=O)c2c(Oc3ccccc3)nc(-c3cccc(C(F)F)n3)nc21.Nc1ccncc1F
• InChI: InChI=1S/C30H38F2N6O2Si.C29H37F3N8OSi.C25H26F2N4O3Si.C23H23F3N8.C5H5FN2.C5H12N2/c1-36-13-15-37(16-14-36)19-22-20-38(21-39-17-18-41(2,3)4)29-26(22)30(40-23-9-6-5-7-10-23)35-28(34-29)25-12-8-11-24(33-25)27(31)32;1-38-10-12-39(13-11-38)17-20-18-40(19-41-14-15-42(2,3)4)29-25(20)28(35-22-8-9-33-16-21(22)30)36-27(37-29)24-7-5-6-23(34-24)26(31)32;1-35(2,3)13-12-33-16-31-14-17(15-32)21-24(31)29-23(20-11-7-10-19(28-20)22(26)27)30-25(21)34-18-8-5-4-6-9-18;1-33-7-9-34(10-8-33)13-14-11-28-22-19(14)23(30-16-5-6-27-12-15(16)24)32-21(31-22)18-4-2-3-17(29-18)20(25)26;6-4-3-8-2-1-5(4)7;1-7-4-2-6-3-5-7/h5-12,20,27H,13-19,21H2,1-4H3;5-9,16,18,26H,10-15,17,19H2,1-4H3,(H,33,35,36,37);4-11,14-15,22H,12-13,16H2,1-3H3;2-6,11-12,20H,7-10,13H2,1H3,(H2,27,28,30,31,32);1-3H,(H2,7,8);6H,2-5H2,1H3
• InChIKey: ZRULMXNFHZGOBK-UHFFFAOYSA-N
• XLogP: 22.71
• TPSA: 371.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 38
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2356.85
LogP ≤ 5	22.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[(4-methylpiperazin-1-yl)methyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;3-fluoropyridin-4-amine;1-methylpiperazine?

The IUPAC name of 2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[(4-methylpiperazin-1-yl)methyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;3-fluoropyridin-4-amine;1-methylpiperazine (CID 162202766) is 2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[(4-methylpiperazin-1-yl)methyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;3-fluoropyridin-4-amine;1-methylpiperazine.

What is the SMILES notation for 2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[(4-methylpiperazin-1-yl)methyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;3-fluoropyridin-4-amine;1-methylpiperazine?

The canonical SMILES for 2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[(4-methylpiperazin-1-yl)methyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;3-fluoropyridin-4-amine;1-methylpiperazine is CN1CCN(Cc2c[nH]c3nc(-c4cccc(C(F)F)n4)nc(Nc4ccncc4F)c23)CC1.CN1CCN(Cc2cn(COCC[Si](C)(C)C)c3nc(-c4cccc(C(F)F)n4)nc(Nc4ccncc4F)c23)CC1.CN1CCN(Cc2cn(COCC[Si](C)(C)C)c3nc(-c4cccc(C(F)F)n4)nc(Oc4ccccc4)c23)CC1.CN1CCNCC1.C[Si](C)(C)CCOCn1cc(C=O)c2c(Oc3ccccc3)nc(-c3cccc(C(F)F)n3)nc21.Nc1ccncc1F.

What is the InChIKey of 2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[(4-methylpiperazin-1-yl)methyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;3-fluoropyridin-4-amine;1-methylpiperazine?

The InChIKey is ZRULMXNFHZGOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F2N6O2Si.C29H37F3N8OSi.C25H26F2N4O3Si.C23H23F3N8.C5H5FN2.C5H12N2/c1-36-13-15-37(16-14-36)19-22-20-38(21-39-17-18-41(2,3)4)29-26(22)30(40-23-9-6-5-7-10-23)35-28(34-29)25-12-8-11-24(33-25)27(31)32;1-38-10-12-39(13-11-38)17-20-18-40(19-41-14-15-42(2,3)4)29-25(20)28(35-22-8-9-33-16-21(22)30)36-27(37-29)24-7-5-6-23(34-24)26(31)32;1-35(2,3)13-12-33-16-31-14-17(15-32)21-24(31)29-23(20-11-7-10-19(28-20)22(26)27)30-25(21)34-18-8-5-4-6-9-18;1-33-7-9-34(10-8-33)13-14-11-28-22-19(14)23(30-16-5-6-27-12-15(16)24)32-21(31-22)18-4-2-3-17(29-18)20(25)26;6-4-3-8-2-1-5(4)7;1-7-4-2-6-3-5-7/h5-12,20,27H,13-19,21H2,1-4H3;5-9,16,18,26H,10-15,17,19H2,1-4H3,(H,33,35,36,37);4-11,14-15,22H,12-13,16H2,1-3H3;2-6,11-12,20H,7-10,13H2,1H3,(H2,27,28,30,31,32);1-3H,(H2,7,8);6H,2-5H2,1H3.

What are the key properties of 2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[(4-methylpiperazin-1-yl)methyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;3-fluoropyridin-4-amine;1-methylpiperazine?

2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[(4-methylpiperazin-1-yl)methyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;3-fluoropyridin-4-amine;1-methylpiperazine has a molecular weight of 2356.85 g/mol, XLogP of 22.71, 38 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[(4-methylpiperazin-1-yl)methyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;3-fluoropyridin-4-amine;1-methylpiperazine is sourced from PubChem (CID 162202766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).