cyclopropanecarboxylic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide;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]cyclopropanecarboxamide;4-N-[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine

C100H106F12N28O8Si3 — CID 158374957

About cyclopropanecarboxylic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide;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]cyclopropanecarboxamide;4-N-[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine

cyclopropanecarboxylic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide;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]cyclopropanecarboxamide;4-N-[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine (PubChem CID 158374957) has the molecular formula C100H106F12N28O8Si3 and a molecular weight of 2140.37 g/mol. Its IUPAC name is cyclopropanecarboxylic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide;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]cyclopropanecarboxamide;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: cyclopropanecarboxylic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide;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]cyclopropanecarboxamide;4-N-[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine
• PubChem CID: 158374957
• Molecular Formula: C100H106F12N28O8Si3
• Molecular Weight: 2140.37 g/mol
• Exact Mass: 2138.79
• IUPAC Name: cyclopropanecarboxylic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide;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]cyclopropanecarboxamide;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)C4CC4)c3)nc(-c3cccc(C(F)(F)F)n3)nc21.O=C(Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nc3[nH]ccc23)ccn1)C1CC1.O=C(O)C1CC1
• InChI: InChI=1S/C27H30F3N7O2Si.C25H28F3N7O2Si.C23H26F3N7OSi.C21H16F3N7O.C4H6O2/c1-40(2,3)14-13-39-16-37-12-10-19-23(32-18-9-11-31-22(15-18)34-26(38)17-7-8-17)35-24(36-25(19)37)20-5-4-6-21(33-20)27(28,29)30;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;22-21(23,24)15-3-1-2-14(28-15)19-30-17-13(7-9-26-17)18(31-19)27-12-6-8-25-16(10-12)29-20(32)11-4-5-11;5-4(6)3-1-2-3/h4-6,9-12,15,17H,7-8,13-14,16H2,1-3H3,(H2,31,32,34,35,36,38);5-11,14H,12-13,15H2,1-4H3,(H2,29,30,31,33,34,36);4-10,13H,11-12,14H2,1-3H3,(H3,27,28,29,31,32);1-3,6-11H,4-5H2,(H3,25,26,27,29,30,31,32);3H,1-2H2,(H,5,6)
• InChIKey: GVBOKPGDVUGTJE-UHFFFAOYSA-N
• XLogP: 22.78
• TPSA: 463.25 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 33
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2140.37
LogP ≤ 5	22.78
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

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 cyclopropanecarboxylic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide;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]cyclopropanecarboxamide;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 cyclopropanecarboxylic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide;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]cyclopropanecarboxamide;4-N-[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyridine-2,4-diamine (CID 158374957) is cyclopropanecarboxylic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide;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]cyclopropanecarboxamide;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 cyclopropanecarboxylic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide;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]cyclopropanecarboxamide;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 cyclopropanecarboxylic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide;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]cyclopropanecarboxamide;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)C4CC4)c3)nc(-c3cccc(C(F)(F)F)n3)nc21.O=C(Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nc3[nH]ccc23)ccn1)C1CC1.O=C(O)C1CC1.

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

The InChIKey is GVBOKPGDVUGTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N7O2Si.C25H28F3N7O2Si.C23H26F3N7OSi.C21H16F3N7O.C4H6O2/c1-40(2,3)14-13-39-16-37-12-10-19-23(32-18-9-11-31-22(15-18)34-26(38)17-7-8-17)35-24(36-25(19)37)20-5-4-6-21(33-20)27(28,29)30;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;22-21(23,24)15-3-1-2-14(28-15)19-30-17-13(7-9-26-17)18(31-19)27-12-6-8-25-16(10-12)29-20(32)11-4-5-11;5-4(6)3-1-2-3/h4-6,9-12,15,17H,7-8,13-14,16H2,1-3H3,(H2,31,32,34,35,36,38);5-11,14H,12-13,15H2,1-4H3,(H2,29,30,31,33,34,36);4-10,13H,11-12,14H2,1-3H3,(H3,27,28,29,31,32);1-3,6-11H,4-5H2,(H3,25,26,27,29,30,31,32);3H,1-2H2,(H,5,6).

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

cyclopropanecarboxylic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide;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]cyclopropanecarboxamide;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 2140.37 g/mol, XLogP of 22.78, 33 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropanecarboxylic acid;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide;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]cyclopropanecarboxamide;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 158374957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).