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

C83H100F9N23O7Si3 — CID 161343724

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

2-pyrrolidin-1-ylacetic acid;2-pyrrolidin-1-yl-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-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;4-N-[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine (PubChem CID 161343724) has the molecular formula C83H100F9N23O7Si3 and a molecular weight of 1787.11 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylacetic acid;2-pyrrolidin-1-yl-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-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;4-N-[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine.

Molecular Properties

• Compound Name: 2-pyrrolidin-1-ylacetic acid;2-pyrrolidin-1-yl-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-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;4-N-[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine
• PubChem CID: 161343724
• Molecular Formula: C83H100F9N23O7Si3
• Molecular Weight: 1787.11 g/mol
• Exact Mass: 1785.73
• IUPAC Name: 2-pyrrolidin-1-ylacetic acid;2-pyrrolidin-1-yl-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-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;4-N-[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine
• 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(C(F)(F)F)n3)nc21.C[Si](C)(C)CCOCn1ccc2c(Nc3ccnc(NC(=O)CN4CCCC4)c3)nc(-c3cccc(C(F)(F)F)n3)nc21.O=C(O)CN1CCCC1
• InChI: InChI=1S/C29H35F3N8O2Si.C25H28F3N7O2Si.C23H26F3N7OSi.C6H11NO2/c1-43(2,3)16-15-42-19-40-14-10-21-26(37-27(38-28(21)40)22-7-6-8-23(35-22)29(30,31)32)34-20-9-11-33-24(17-20)36-25(41)18-39-12-4-5-13-39;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;1-35(2,3)12-11-34-14-33-10-8-16-20(29-15-7-9-28-19(27)13-15)31-21(32-22(16)33)17-5-4-6-18(30-17)23(24,25)26;8-6(9)5-7-3-1-2-4-7/h6-11,14,17H,4-5,12-13,15-16,18-19H2,1-3H3,(H2,33,34,36,37,38,41);5-11,14H,12-13,15H2,1-4H3,(H2,29,30,31,33,34,36);4-10,13H,11-12,14H2,1-3H3,(H3,27,28,29,31,32);1-5H2,(H,8,9)
• InChIKey: VNAFBAKJFBIACO-UHFFFAOYSA-N
• XLogP: 17.63
• TPSA: 361.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 30
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1787.11
LogP ≤ 5	17.63
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'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-pyrrolidin-1-ylacetic acid;2-pyrrolidin-1-yl-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-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;4-N-[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine?

The IUPAC name of 2-pyrrolidin-1-ylacetic acid;2-pyrrolidin-1-yl-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-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;4-N-[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine (CID 161343724) is 2-pyrrolidin-1-ylacetic acid;2-pyrrolidin-1-yl-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-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;4-N-[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine.

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

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

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

The InChIKey is VNAFBAKJFBIACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F3N8O2Si.C25H28F3N7O2Si.C23H26F3N7OSi.C6H11NO2/c1-43(2,3)16-15-42-19-40-14-10-21-26(37-27(38-28(21)40)22-7-6-8-23(35-22)29(30,31)32)34-20-9-11-33-24(17-20)36-25(41)18-39-12-4-5-13-39;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;1-35(2,3)12-11-34-14-33-10-8-16-20(29-15-7-9-28-19(27)13-15)31-21(32-22(16)33)17-5-4-6-18(30-17)23(24,25)26;8-6(9)5-7-3-1-2-4-7/h6-11,14,17H,4-5,12-13,15-16,18-19H2,1-3H3,(H2,33,34,36,37,38,41);5-11,14H,12-13,15H2,1-4H3,(H2,29,30,31,33,34,36);4-10,13H,11-12,14H2,1-3H3,(H3,27,28,29,31,32);1-5H2,(H,8,9).

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

2-pyrrolidin-1-ylacetic acid;2-pyrrolidin-1-yl-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-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;4-N-[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine has a molecular weight of 1787.11 g/mol, XLogP of 17.63, 30 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyrrolidin-1-ylacetic acid;2-pyrrolidin-1-yl-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-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;4-N-[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine is sourced from PubChem (CID 161343724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).