2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;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-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)pyridin-3-amine;hydrochloride

C58H73Cl2F4N16O6Si2+ — CID 158619797

About 2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;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-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)pyridin-3-amine;hydrochloride

2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;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-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)pyridin-3-amine;hydrochloride (PubChem CID 158619797) has the molecular formula C58H73Cl2F4N16O6Si2+ and a molecular weight of 1293.40 g/mol. Its IUPAC name is 2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;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-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)pyridin-3-amine;hydrochloride.

Molecular Properties

• Compound Name: 2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;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-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)pyridin-3-amine;hydrochloride
• PubChem CID: 158619797
• Molecular Formula: C58H73Cl2F4N16O6Si2+
• Molecular Weight: 1293.40 g/mol
• Exact Mass: 1291.47
• IUPAC Name: 2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;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-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)pyridin-3-amine;hydrochloride
• SMILES: CN1CC=[N+](c2ccc(N)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/C29H36F2N8O3Si.C19H21ClF2N4O3Si.C10H15N4.ClH/c1-36-12-14-37(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;1-30(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;/h5-11,18-19H,12-17,20H2,1-4H3,(H,33,34,35);4-8,11H,9-10,12H2,1-3H3;2-3,6,8H,4-5,7,11H2,1H3;1H/q;;+1
• InChIKey: MMJRXQHANCDVBV-UHFFFAOYSA-N
• XLogP: 11.87
• TPSA: 242.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1293.40
LogP ≤ 5	11.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;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-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)pyridin-3-amine;hydrochloride?

The IUPAC name of 2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;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-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)pyridin-3-amine;hydrochloride (CID 158619797) is 2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;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-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)pyridin-3-amine;hydrochloride.

What is the SMILES notation for 2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;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-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)pyridin-3-amine;hydrochloride?

The canonical SMILES for 2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;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-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)pyridin-3-amine;hydrochloride is CN1CC=[N+](c2ccc(N)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 2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;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-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)pyridin-3-amine;hydrochloride?

The InChIKey is MMJRXQHANCDVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F2N8O3Si.C19H21ClF2N4O3Si.C10H15N4.ClH/c1-36-12-14-37(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;1-30(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;/h5-11,18-19H,12-17,20H2,1-4H3,(H,33,34,35);4-8,11H,9-10,12H2,1-3H3;2-3,6,8H,4-5,7,11H2,1H3;1H/q;;+1;.

What are the key properties of 2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;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-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)pyridin-3-amine;hydrochloride?

2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;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-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)pyridin-3-amine;hydrochloride has a molecular weight of 1293.40 g/mol, XLogP of 11.87, 20 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;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-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)pyridin-3-amine;hydrochloride is sourced from PubChem (CID 158619797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).