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

C82H96ClF9N20O5Si2 — CID 165029408

About 4-(chloromethyl)pyridine;5,5,5-trifluoro-1-[1-(pyridin-4-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;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-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;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 165029408) has the molecular formula C82H96ClF9N20O5Si2 and a molecular weight of 1704.41 g/mol. Its IUPAC name is 4-(chloromethyl)pyridine;5,5,5-trifluoro-1-[1-(pyridin-4-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;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-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;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: 165029408
• Molecular Formula: C82H96ClF9N20O5Si2
• Molecular Weight: 1704.41 g/mol
• Exact Mass: 1702.70
• IUPAC Name: 4-(chloromethyl)pyridine;5,5,5-trifluoro-1-[1-(pyridin-4-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;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.O=C(CCCC(F)(F)F)c1nn(Cc2ccncc2)c2c1CN(c1ccnc3[nH]ccc13)CC2
• InChI: InChI=1S/C29H36F3N7O2Si.C24H23F3N6O.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;25-24(26,27)8-1-2-21(34)22-18-15-32(19-6-12-30-23-17(19)5-11-29-23)13-7-20(18)33(31-22)14-16-3-9-28-10-4-16;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;3-6,9-12H,1-2,7-8,13-15H2,(H,29,30);6,9,14H,4-5,7-8,10-13,15H2,1-3H3,(H,29,30);1-4H,5H2
• InChIKey: MKGZNYWFLMWPHH-UHFFFAOYSA-N
• XLogP: 17.31
• TPSA: 272.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 30
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1704.41
LogP ≤ 5	17.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

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-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;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-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;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 165029408) is 4-(chloromethyl)pyridine;5,5,5-trifluoro-1-[1-(pyridin-4-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;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-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;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-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;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.O=C(CCCC(F)(F)F)c1nn(Cc2ccncc2)c2c1CN(c1ccnc3[nH]ccc13)CC2.

What is the InChIKey of 4-(chloromethyl)pyridine;5,5,5-trifluoro-1-[1-(pyridin-4-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;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 MKGZNYWFLMWPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F3N7O2Si.C24H23F3N6O.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;25-24(26,27)8-1-2-21(34)22-18-15-32(19-6-12-30-23-17(19)5-11-29-23)13-7-20(18)33(31-22)14-16-3-9-28-10-4-16;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;3-6,9-12H,1-2,7-8,13-15H2,(H,29,30);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-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;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-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;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 1704.41 g/mol, XLogP of 17.31, 30 rotatable bonds, 2 hydrogen bond donors, and 23 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-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one;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 165029408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).