ethanesulfonyl chloride;1-[1-ethylsulfonyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-1-one;1-[1-ethylsulfonyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-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

C69H92ClF9N18O11S3Si2 — CID 165001008

About ethanesulfonyl chloride;1-[1-ethylsulfonyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-1-one;1-[1-ethylsulfonyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-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

ethanesulfonyl chloride;1-[1-ethylsulfonyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-1-one;1-[1-ethylsulfonyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-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 165001008) has the molecular formula C69H92ClF9N18O11S3Si2 and a molecular weight of 1708.42 g/mol. Its IUPAC name is ethanesulfonyl chloride;1-[1-ethylsulfonyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-1-one;1-[1-ethylsulfonyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-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: ethanesulfonyl chloride;1-[1-ethylsulfonyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-1-one;1-[1-ethylsulfonyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-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: 165001008
• Molecular Formula: C69H92ClF9N18O11S3Si2
• Molecular Weight: 1708.42 g/mol
• Exact Mass: 1706.54
• IUPAC Name: ethanesulfonyl chloride;1-[1-ethylsulfonyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-1-one;1-[1-ethylsulfonyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-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: CCS(=O)(=O)Cl.CCS(=O)(=O)n1nc(C(=O)CCCC(F)(F)F)c2c1CCN(c1ncnc3[nH]ccc13)C2.CCS(=O)(=O)n1nc(C(=O)CCCC(F)(F)F)c2c1CCN(c1ncnc3c1ccn3COCC[Si](C)(C)C)C2.C[Si](C)(C)CCOCn1ccc2c(N3CCc4[nH]nc(C(=O)CCCC(F)(F)F)c4C3)ncnc21
• InChI: InChI=1S/C25H35F3N6O4SSi.C23H31F3N6O2Si.C19H21F3N6O3S.C2H5ClO2S/c1-5-39(36,37)34-20-9-12-32(15-19(20)22(31-34)21(35)7-6-10-25(26,27)28)23-18-8-11-33(24(18)30-16-29-23)17-38-13-14-40(2,3)4;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;1-2-32(30,31)28-14-6-9-27(18-12-5-8-23-17(12)24-11-25-18)10-13(14)16(26-28)15(29)4-3-7-19(20,21)22;1-2-6(3,4)5/h8,11,16H,5-7,9-10,12-15,17H2,1-4H3;6,9,14H,4-5,7-8,10-13,15H2,1-3H3,(H,29,30);5,8,11H,2-4,6-7,9-10H2,1H3,(H,23,24,25);2H2,1H3
• InChIKey: IGGJGHYNOAJODY-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 349.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 30
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1708.42
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	2
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 ethanesulfonyl chloride;1-[1-ethylsulfonyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-1-one;1-[1-ethylsulfonyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-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 ethanesulfonyl chloride;1-[1-ethylsulfonyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-1-one;1-[1-ethylsulfonyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-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 165001008) is ethanesulfonyl chloride;1-[1-ethylsulfonyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-1-one;1-[1-ethylsulfonyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-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 ethanesulfonyl chloride;1-[1-ethylsulfonyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-1-one;1-[1-ethylsulfonyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-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 ethanesulfonyl chloride;1-[1-ethylsulfonyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-1-one;1-[1-ethylsulfonyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-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 CCS(=O)(=O)Cl.CCS(=O)(=O)n1nc(C(=O)CCCC(F)(F)F)c2c1CCN(c1ncnc3[nH]ccc13)C2.CCS(=O)(=O)n1nc(C(=O)CCCC(F)(F)F)c2c1CCN(c1ncnc3c1ccn3COCC[Si](C)(C)C)C2.C[Si](C)(C)CCOCn1ccc2c(N3CCc4[nH]nc(C(=O)CCCC(F)(F)F)c4C3)ncnc21.

What is the InChIKey of ethanesulfonyl chloride;1-[1-ethylsulfonyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-1-one;1-[1-ethylsulfonyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-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 IGGJGHYNOAJODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F3N6O4SSi.C23H31F3N6O2Si.C19H21F3N6O3S.C2H5ClO2S/c1-5-39(36,37)34-20-9-12-32(15-19(20)22(31-34)21(35)7-6-10-25(26,27)28)23-18-8-11-33(24(18)30-16-29-23)17-38-13-14-40(2,3)4;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;1-2-32(30,31)28-14-6-9-27(18-12-5-8-23-17(12)24-11-25-18)10-13(14)16(26-28)15(29)4-3-7-19(20,21)22;1-2-6(3,4)5/h8,11,16H,5-7,9-10,12-15,17H2,1-4H3;6,9,14H,4-5,7-8,10-13,15H2,1-3H3,(H,29,30);5,8,11H,2-4,6-7,9-10H2,1H3,(H,23,24,25);2H2,1H3.

What are the key properties of ethanesulfonyl chloride;1-[1-ethylsulfonyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-1-one;1-[1-ethylsulfonyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-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?

ethanesulfonyl chloride;1-[1-ethylsulfonyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-1-one;1-[1-ethylsulfonyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-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 1708.42 g/mol, XLogP of 12.97, 30 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for ethanesulfonyl chloride;1-[1-ethylsulfonyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-1-one;1-[1-ethylsulfonyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5,5,5-trifluoropentan-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 165001008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).