2-[[7-chloro-2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;3-[7-chloro-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;2-[[2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;methane;1-methylsulfonylpiperidin-3-amine

C81H111Cl3F2N22O9S3Si3 — CID 159605034

About 2-[[7-chloro-2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;3-[7-chloro-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;2-[[2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;methane;1-methylsulfonylpiperidin-3-amine

2-[[7-chloro-2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;3-[7-chloro-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;2-[[2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;methane;1-methylsulfonylpiperidin-3-amine (PubChem CID 159605034) has the molecular formula C81H111Cl3F2N22O9S3Si3 and a molecular weight of 1861.74 g/mol. Its IUPAC name is 2-[[7-chloro-2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;3-[7-chloro-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;2-[[2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;methane;1-methylsulfonylpiperidin-3-amine.

Molecular Properties

• Compound Name: 2-[[7-chloro-2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;3-[7-chloro-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;2-[[2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;methane;1-methylsulfonylpiperidin-3-amine
• PubChem CID: 159605034
• Molecular Formula: C81H111Cl3F2N22O9S3Si3
• Molecular Weight: 1861.74 g/mol
• Exact Mass: 1858.64
• IUPAC Name: 2-[[7-chloro-2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;3-[7-chloro-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;2-[[2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;methane;1-methylsulfonylpiperidin-3-amine
• SMILES: C.CS(=O)(=O)N1CCCC(N)C1.CS(=O)(=O)N1CCCC(Nc2ncccc2-c2cnc3[nH]cc(Cl)c3n2)C1.C[Si](C)(C)CCOCn1cc(Cl)c2nc(-c3cccnc3F)cnc21.C[Si](C)(C)CCOCn1cc(Cl)c2nc(-c3cccnc3NC3CCCN(S(C)(=O)=O)C3)cnc21.C[Si](C)(C)CCOCn1ccc2nc(-c3cccnc3F)cnc21
• InChI: InChI=1S/C23H33ClN6O3SSi.C17H20ClFN4OSi.C17H19ClN6O2S.C17H21FN4OSi.C6H14N2O2S.CH4/c1-34(31,32)30-10-6-7-17(14-30)27-22-18(8-5-9-25-22)20-13-26-23-21(28-20)19(24)15-29(23)16-33-11-12-35(2,3)4;1-25(2,3)8-7-24-11-23-10-13(18)15-17(23)21-9-14(22-15)12-5-4-6-20-16(12)19;1-27(25,26)24-7-3-4-11(10-24)22-16-12(5-2-6-19-16)14-9-21-17-15(23-14)13(18)8-20-17;1-24(2,3)10-9-23-12-22-8-6-14-17(22)20-11-15(21-14)13-5-4-7-19-16(13)18;1-11(9,10)8-4-2-3-6(7)5-8;/h5,8-9,13,15,17H,6-7,10-12,14,16H2,1-4H3,(H,25,27);4-6,9-10H,7-8,11H2,1-3H3;2,5-6,8-9,11H,3-4,7,10H2,1H3,(H,19,22)(H,20,21);4-8,11H,9-10,12H2,1-3H3;6H,2-5,7H2,1H3;1H4
• InChIKey: MLYXRIMVTQOIJB-UHFFFAOYSA-N
• XLogP: 15.35
• TPSA: 375.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1861.74
LogP ≤ 5	15.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', '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-[[7-chloro-2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;3-[7-chloro-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;2-[[2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;methane;1-methylsulfonylpiperidin-3-amine?

The IUPAC name of 2-[[7-chloro-2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;3-[7-chloro-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;2-[[2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;methane;1-methylsulfonylpiperidin-3-amine (CID 159605034) is 2-[[7-chloro-2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;3-[7-chloro-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;2-[[2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;methane;1-methylsulfonylpiperidin-3-amine.

What is the SMILES notation for 2-[[7-chloro-2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;3-[7-chloro-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;2-[[2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;methane;1-methylsulfonylpiperidin-3-amine?

The canonical SMILES for 2-[[7-chloro-2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;3-[7-chloro-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;2-[[2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;methane;1-methylsulfonylpiperidin-3-amine is C.CS(=O)(=O)N1CCCC(N)C1.CS(=O)(=O)N1CCCC(Nc2ncccc2-c2cnc3[nH]cc(Cl)c3n2)C1.C[Si](C)(C)CCOCn1cc(Cl)c2nc(-c3cccnc3F)cnc21.C[Si](C)(C)CCOCn1cc(Cl)c2nc(-c3cccnc3NC3CCCN(S(C)(=O)=O)C3)cnc21.C[Si](C)(C)CCOCn1ccc2nc(-c3cccnc3F)cnc21.

What is the InChIKey of 2-[[7-chloro-2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;3-[7-chloro-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;2-[[2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;methane;1-methylsulfonylpiperidin-3-amine?

The InChIKey is MLYXRIMVTQOIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33ClN6O3SSi.C17H20ClFN4OSi.C17H19ClN6O2S.C17H21FN4OSi.C6H14N2O2S.CH4/c1-34(31,32)30-10-6-7-17(14-30)27-22-18(8-5-9-25-22)20-13-26-23-21(28-20)19(24)15-29(23)16-33-11-12-35(2,3)4;1-25(2,3)8-7-24-11-23-10-13(18)15-17(23)21-9-14(22-15)12-5-4-6-20-16(12)19;1-27(25,26)24-7-3-4-11(10-24)22-16-12(5-2-6-19-16)14-9-21-17-15(23-14)13(18)8-20-17;1-24(2,3)10-9-23-12-22-8-6-14-17(22)20-11-15(21-14)13-5-4-7-19-16(13)18;1-11(9,10)8-4-2-3-6(7)5-8;/h5,8-9,13,15,17H,6-7,10-12,14,16H2,1-4H3,(H,25,27);4-6,9-10H,7-8,11H2,1-3H3;2,5-6,8-9,11H,3-4,7,10H2,1H3,(H,19,22)(H,20,21);4-8,11H,9-10,12H2,1-3H3;6H,2-5,7H2,1H3;1H4.

What are the key properties of 2-[[7-chloro-2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;3-[7-chloro-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;2-[[2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;methane;1-methylsulfonylpiperidin-3-amine?

2-[[7-chloro-2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;3-[7-chloro-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;2-[[2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;methane;1-methylsulfonylpiperidin-3-amine has a molecular weight of 1861.74 g/mol, XLogP of 15.35, 26 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[7-chloro-2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;3-[7-chloro-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;2-[[2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;methane;1-methylsulfonylpiperidin-3-amine is sourced from PubChem (CID 159605034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).