4-[(3-aminophenyl)-difluoromethyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-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-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;prop-2-enoyl chloride;hydrochloride

C122H155Cl3F8N32O10Si4 — CID 157223356

About 4-[(3-aminophenyl)-difluoromethyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-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-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;prop-2-enoyl chloride;hydrochloride

4-[(3-aminophenyl)-difluoromethyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-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-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;prop-2-enoyl chloride;hydrochloride (PubChem CID 157223356) has the molecular formula C122H155Cl3F8N32O10Si4 and a molecular weight of 2600.48 g/mol. Its IUPAC name is 4-[(3-aminophenyl)-difluoromethyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-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-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;prop-2-enoyl chloride;hydrochloride.

Molecular Properties

• Compound Name: 4-[(3-aminophenyl)-difluoromethyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-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-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;prop-2-enoyl chloride;hydrochloride
• PubChem CID: 157223356
• Molecular Formula: C122H155Cl3F8N32O10Si4
• Molecular Weight: 2600.48 g/mol
• Exact Mass: 2597.06
• IUPAC Name: 4-[(3-aminophenyl)-difluoromethyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-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-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;prop-2-enoyl chloride;hydrochloride
• SMILES: C=CC(=O)Cl.C=CC(=O)Nc1cccc(C(F)(F)c2nc(Nc3ccc(N4CCN(C)CC4)nc3)nc3c2ccn3COCC[Si](C)(C)C)c1.CN1CCN(c2ccc(N)cn2)CC1.CN1CCN(c2ccc(Nc3nc(C(F)(F)c4cccc(N)c4)c4ccn(COCC[Si](C)(C)C)c4n3)cn2)CC1.CN1CCN(c2ccc(Nc3nc(C(F)(F)c4cccc([N+](=O)[O-])c4)c4ccn(COCC[Si](C)(C)C)c4n3)cn2)CC1.C[Si](C)(C)CCOCn1ccc2c(C(F)(F)c3cccc([N+](=O)[O-])c3)nc(Cl)nc21.Cl
• InChI: InChI=1S/C32H40F2N8O2Si.C29H36F2N8O3Si.C29H38F2N8OSi.C19H21ClF2N4O3Si.C10H16N4.C3H3ClO.ClH/c1-6-28(43)36-24-9-7-8-23(20-24)32(33,34)29-26-12-13-42(22-44-18-19-45(3,4)5)30(26)39-31(38-29)37-25-10-11-27(35-21-25)41-16-14-40(2)15-17-41;1-36-12-14-37(15-13-36)25-9-8-22(19-32-25)33-28-34-26(29(30,31)21-6-5-7-23(18-21)39(40)41)24-10-11-38(27(24)35-28)20-42-16-17-43(2,3)4;1-37-12-14-38(15-13-37)25-9-8-23(19-33-25)34-28-35-26(29(30,31)21-6-5-7-22(32)18-21)24-10-11-39(27(24)36-28)20-40-16-17-41(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;1-13-4-6-14(7-5-13)10-3-2-9(11)8-12-10;1-2-3(4)5;/h6-13,20-21H,1,14-19,22H2,2-5H3,(H,36,43)(H,37,38,39);5-11,18-19H,12-17,20H2,1-4H3,(H,33,34,35);5-11,18-19H,12-17,20,32H2,1-4H3,(H,34,35,36);4-8,11H,9-10,12H2,1-3H3;2-3,8H,4-7,11H2,1H3;2H,1H2;1H
• InChIKey: LEMXQFQRLIXTKS-UHFFFAOYSA-N
• XLogP: 24.16
• TPSA: 457.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 43
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2600.48
LogP ≤ 5	24.16
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminophenyl)-difluoromethyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-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-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;prop-2-enoyl chloride;hydrochloride?

The IUPAC name of 4-[(3-aminophenyl)-difluoromethyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-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-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;prop-2-enoyl chloride;hydrochloride (CID 157223356) is 4-[(3-aminophenyl)-difluoromethyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-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-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;prop-2-enoyl chloride;hydrochloride.

What is the SMILES notation for 4-[(3-aminophenyl)-difluoromethyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-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-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;prop-2-enoyl chloride;hydrochloride?

The canonical SMILES for 4-[(3-aminophenyl)-difluoromethyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-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-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;prop-2-enoyl chloride;hydrochloride is C=CC(=O)Cl.C=CC(=O)Nc1cccc(C(F)(F)c2nc(Nc3ccc(N4CCN(C)CC4)nc3)nc3c2ccn3COCC[Si](C)(C)C)c1.CN1CCN(c2ccc(N)cn2)CC1.CN1CCN(c2ccc(Nc3nc(C(F)(F)c4cccc(N)c4)c4ccn(COCC[Si](C)(C)C)c4n3)cn2)CC1.CN1CCN(c2ccc(Nc3nc(C(F)(F)c4cccc([N+](=O)[O-])c4)c4ccn(COCC[Si](C)(C)C)c4n3)cn2)CC1.C[Si](C)(C)CCOCn1ccc2c(C(F)(F)c3cccc([N+](=O)[O-])c3)nc(Cl)nc21.Cl.

What is the InChIKey of 4-[(3-aminophenyl)-difluoromethyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-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-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;prop-2-enoyl chloride;hydrochloride?

The InChIKey is LEMXQFQRLIXTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40F2N8O2Si.C29H36F2N8O3Si.C29H38F2N8OSi.C19H21ClF2N4O3Si.C10H16N4.C3H3ClO.ClH/c1-6-28(43)36-24-9-7-8-23(20-24)32(33,34)29-26-12-13-42(22-44-18-19-45(3,4)5)30(26)39-31(38-29)37-25-10-11-27(35-21-25)41-16-14-40(2)15-17-41;1-36-12-14-37(15-13-36)25-9-8-22(19-32-25)33-28-34-26(29(30,31)21-6-5-7-23(18-21)39(40)41)24-10-11-38(27(24)35-28)20-42-16-17-43(2,3)4;1-37-12-14-38(15-13-37)25-9-8-23(19-33-25)34-28-35-26(29(30,31)21-6-5-7-22(32)18-21)24-10-11-39(27(24)36-28)20-40-16-17-41(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;1-13-4-6-14(7-5-13)10-3-2-9(11)8-12-10;1-2-3(4)5;/h6-13,20-21H,1,14-19,22H2,2-5H3,(H,36,43)(H,37,38,39);5-11,18-19H,12-17,20H2,1-4H3,(H,33,34,35);5-11,18-19H,12-17,20,32H2,1-4H3,(H,34,35,36);4-8,11H,9-10,12H2,1-3H3;2-3,8H,4-7,11H2,1H3;2H,1H2;1H.

What are the key properties of 4-[(3-aminophenyl)-difluoromethyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-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-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;prop-2-enoyl chloride;hydrochloride?

4-[(3-aminophenyl)-difluoromethyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-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-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;prop-2-enoyl chloride;hydrochloride has a molecular weight of 2600.48 g/mol, XLogP of 24.16, 43 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-aminophenyl)-difluoromethyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-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-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;prop-2-enoyl chloride;hydrochloride is sourced from PubChem (CID 157223356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).