4-(chloromethyl)pyridine;5,5,5-trifluoro-1-[1-(pyridin-4-ylmethyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one

C58H73ClF6N14O4Si2 — CID 165016683

About 4-(chloromethyl)pyridine;5,5,5-trifluoro-1-[1-(pyridin-4-ylmethyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one

4-(chloromethyl)pyridine;5,5,5-trifluoro-1-[1-(pyridin-4-ylmethyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one (PubChem CID 165016683) has the molecular formula C58H73ClF6N14O4Si2 and a molecular weight of 1235.93 g/mol. Its IUPAC name is 4-(chloromethyl)pyridine;5,5,5-trifluoro-1-[1-(pyridin-4-ylmethyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one.

Molecular Properties

• Compound Name: 4-(chloromethyl)pyridine;5,5,5-trifluoro-1-[1-(pyridin-4-ylmethyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one
• PubChem CID: 165016683
• Molecular Formula: C58H73ClF6N14O4Si2
• Molecular Weight: 1235.93 g/mol
• Exact Mass: 1234.51
• IUPAC Name: 4-(chloromethyl)pyridine;5,5,5-trifluoro-1-[1-(pyridin-4-ylmethyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one
• SMILES: C[Si](C)(C)CCOCn1ccc2c(N3CCc4[nH]nc(C(=O)CCCC(F)(F)F)c4C3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(N3CCc4c(c(C(=O)CCCC(F)(F)F)nn4Cc4ccncc4)C3)ncnc21.ClCc1ccncc1
• InChI: InChI=1S/C29H36F3N7O2Si.C23H31F3N6O2Si.C6H6ClN/c1-42(2,3)16-15-41-20-38-13-8-22-27(34-19-35-28(22)38)37-14-9-24-23(18-37)26(25(40)5-4-10-29(30,31)32)36-39(24)17-21-6-11-33-12-7-21;1-35(2,3)12-11-34-15-32-9-6-16-21(27-14-28-22(16)32)31-10-7-18-17(13-31)20(30-29-18)19(33)5-4-8-23(24,25)26;7-5-6-1-3-8-4-2-6/h6-8,11-13,19H,4-5,9-10,14-18,20H2,1-3H3;6,9,14H,4-5,7-8,10-13,15H2,1-3H3,(H,29,30);1-4H,5H2
• InChIKey: KNKKITFBTFLEOR-UHFFFAOYSA-N
• XLogP: 12.63
• TPSA: 192.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1235.93
LogP ≤ 5	12.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)pyridine;5,5,5-trifluoro-1-[1-(pyridin-4-ylmethyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one?

The IUPAC name of 4-(chloromethyl)pyridine;5,5,5-trifluoro-1-[1-(pyridin-4-ylmethyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one (CID 165016683) is 4-(chloromethyl)pyridine;5,5,5-trifluoro-1-[1-(pyridin-4-ylmethyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one.

What is the SMILES notation for 4-(chloromethyl)pyridine;5,5,5-trifluoro-1-[1-(pyridin-4-ylmethyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one?

The canonical SMILES for 4-(chloromethyl)pyridine;5,5,5-trifluoro-1-[1-(pyridin-4-ylmethyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one is C[Si](C)(C)CCOCn1ccc2c(N3CCc4[nH]nc(C(=O)CCCC(F)(F)F)c4C3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(N3CCc4c(c(C(=O)CCCC(F)(F)F)nn4Cc4ccncc4)C3)ncnc21.ClCc1ccncc1.

What is the InChIKey of 4-(chloromethyl)pyridine;5,5,5-trifluoro-1-[1-(pyridin-4-ylmethyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one?

The InChIKey is KNKKITFBTFLEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F3N7O2Si.C23H31F3N6O2Si.C6H6ClN/c1-42(2,3)16-15-41-20-38-13-8-22-27(34-19-35-28(22)38)37-14-9-24-23(18-37)26(25(40)5-4-10-29(30,31)32)36-39(24)17-21-6-11-33-12-7-21;1-35(2,3)12-11-34-15-32-9-6-16-21(27-14-28-22(16)32)31-10-7-18-17(13-31)20(30-29-18)19(33)5-4-8-23(24,25)26;7-5-6-1-3-8-4-2-6/h6-8,11-13,19H,4-5,9-10,14-18,20H2,1-3H3;6,9,14H,4-5,7-8,10-13,15H2,1-3H3,(H,29,30);1-4H,5H2.

What are the key properties of 4-(chloromethyl)pyridine;5,5,5-trifluoro-1-[1-(pyridin-4-ylmethyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one?

4-(chloromethyl)pyridine;5,5,5-trifluoro-1-[1-(pyridin-4-ylmethyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one has a molecular weight of 1235.93 g/mol, XLogP of 12.63, 23 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(chloromethyl)pyridine;5,5,5-trifluoro-1-[1-(pyridin-4-ylmethyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one is sourced from PubChem (CID 165016683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).