N-[4-[[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;4-N-[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine;molecular fluorine;2-pyrrolidin-1-ylacetic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide

C81H100F9N23O7Si3 — CID 161333812

About N-[4-[[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;4-N-[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine;molecular fluorine;2-pyrrolidin-1-ylacetic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide

N-[4-[[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;4-N-[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine;molecular fluorine;2-pyrrolidin-1-ylacetic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide (PubChem CID 161333812) has the molecular formula C81H100F9N23O7Si3 and a molecular weight of 1763.08 g/mol. Its IUPAC name is N-[4-[[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;4-N-[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine;molecular fluorine;2-pyrrolidin-1-ylacetic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;4-N-[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine;molecular fluorine;2-pyrrolidin-1-ylacetic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
• PubChem CID: 161333812
• Molecular Formula: C81H100F9N23O7Si3
• Molecular Weight: 1763.08 g/mol
• Exact Mass: 1761.73
• IUPAC Name: N-[4-[[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;4-N-[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine;molecular fluorine;2-pyrrolidin-1-ylacetic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nc3c2ccn3COCC[Si](C)(C)C)ccn1.C[Si](C)(C)CCOCn1ccc2c(Nc3ccnc(N)c3)nc(-c3cccc(F)n3)nc21.C[Si](C)(C)CCOCn1ccc2c(Nc3ccnc(NC(=O)CN4CCCC4)c3)nc(-c3cccc(F)n3)nc21.FF.FF.O=C(O)CN1CCCC1
• InChI: InChI=1S/C28H35FN8O2Si.C25H28F3N7O2Si.C22H26FN7OSi.C6H11NO2.2F2/c1-40(2,3)16-15-39-19-37-14-10-21-26(34-27(35-28(21)37)22-7-6-8-23(29)32-22)31-20-9-11-30-24(17-20)33-25(38)18-36-12-4-5-13-36;1-16(36)30-21-14-17(8-10-29-21)31-22-18-9-11-35(15-37-12-13-38(2,3)4)24(18)34-23(33-22)19-6-5-7-20(32-19)25(26,27)28;1-32(2,3)12-11-31-14-30-10-8-16-20(26-15-7-9-25-19(24)13-15)28-21(29-22(16)30)17-5-4-6-18(23)27-17;8-6(9)5-7-3-1-2-4-7;2*1-2/h6-11,14,17H,4-5,12-13,15-16,18-19H2,1-3H3,(H2,30,31,33,34,35,38);5-11,14H,12-13,15H2,1-4H3,(H2,29,30,31,33,34,36);4-10,13H,11-12,14H2,1-3H3,(H3,24,25,26,28,29);1-5H2,(H,8,9)
• InChIKey: VLTNLGCBDYXFOF-UHFFFAOYSA-N
• XLogP: 17.55
• TPSA: 361.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 30
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1763.08
LogP ≤ 5	17.55
H-Bond Donors ≤ 5	7
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 N-[4-[[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;4-N-[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine;molecular fluorine;2-pyrrolidin-1-ylacetic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;4-N-[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine;molecular fluorine;2-pyrrolidin-1-ylacetic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide (CID 161333812) is N-[4-[[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;4-N-[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine;molecular fluorine;2-pyrrolidin-1-ylacetic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;4-N-[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine;molecular fluorine;2-pyrrolidin-1-ylacetic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;4-N-[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine;molecular fluorine;2-pyrrolidin-1-ylacetic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nc3c2ccn3COCC[Si](C)(C)C)ccn1.C[Si](C)(C)CCOCn1ccc2c(Nc3ccnc(N)c3)nc(-c3cccc(F)n3)nc21.C[Si](C)(C)CCOCn1ccc2c(Nc3ccnc(NC(=O)CN4CCCC4)c3)nc(-c3cccc(F)n3)nc21.FF.FF.O=C(O)CN1CCCC1.

What is the InChIKey of N-[4-[[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;4-N-[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine;molecular fluorine;2-pyrrolidin-1-ylacetic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?

The InChIKey is VLTNLGCBDYXFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN8O2Si.C25H28F3N7O2Si.C22H26FN7OSi.C6H11NO2.2F2/c1-40(2,3)16-15-39-19-37-14-10-21-26(34-27(35-28(21)37)22-7-6-8-23(29)32-22)31-20-9-11-30-24(17-20)33-25(38)18-36-12-4-5-13-36;1-16(36)30-21-14-17(8-10-29-21)31-22-18-9-11-35(15-37-12-13-38(2,3)4)24(18)34-23(33-22)19-6-5-7-20(32-19)25(26,27)28;1-32(2,3)12-11-31-14-30-10-8-16-20(26-15-7-9-25-19(24)13-15)28-21(29-22(16)30)17-5-4-6-18(23)27-17;8-6(9)5-7-3-1-2-4-7;2*1-2/h6-11,14,17H,4-5,12-13,15-16,18-19H2,1-3H3,(H2,30,31,33,34,35,38);5-11,14H,12-13,15H2,1-4H3,(H2,29,30,31,33,34,36);4-10,13H,11-12,14H2,1-3H3,(H3,24,25,26,28,29);1-5H2,(H,8,9);;.

What are the key properties of N-[4-[[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;4-N-[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine;molecular fluorine;2-pyrrolidin-1-ylacetic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?

N-[4-[[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;4-N-[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine;molecular fluorine;2-pyrrolidin-1-ylacetic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide has a molecular weight of 1763.08 g/mol, XLogP of 17.55, 30 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;4-N-[2-(6-fluoro-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine;molecular fluorine;2-pyrrolidin-1-ylacetic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 161333812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).