3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethanesulfonyl chloride

C48H51ClF4N10O6S2 — CID 157247884

About 3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethanesulfonyl chloride

3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethanesulfonyl chloride (PubChem CID 157247884) has the molecular formula C48H51ClF4N10O6S2 and a molecular weight of 1039.58 g/mol. Its IUPAC name is 3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethanesulfonyl chloride.

Molecular Properties

• Compound Name: 3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethanesulfonyl chloride
• PubChem CID: 157247884
• Molecular Formula: C48H51ClF4N10O6S2
• Molecular Weight: 1039.58 g/mol
• Exact Mass: 1038.31
• IUPAC Name: 3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethanesulfonyl chloride
• SMILES: CCS(=O)(=O)Cl.CCS(=O)(=O)N1CCC(n2cc(-c3cnc4[nH]cc(-c5cc(F)cc(F)c5OC)c4c3)cn2)CC1.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12
• InChI: InChI=1S/C24H25F2N5O3S.C22H21F2N5O.C2H5ClO2S/c1-3-35(32,33)30-6-4-18(5-7-30)31-14-16(12-29-31)15-8-20-21(13-28-24(20)27-11-15)19-9-17(25)10-22(26)23(19)34-2;1-30-21-17(7-15(23)8-20(21)24)19-11-27-22-18(19)6-13(9-26-22)14-10-28-29(12-14)16-2-4-25-5-3-16;1-2-6(3,4)5/h8-14,18H,3-7H2,1-2H3,(H,27,28);6-12,16,25H,2-5H2,1H3,(H,26,27);2H2,1H3
• InChIKey: AVZPPWRWGZCGKA-UHFFFAOYSA-N
• XLogP: 9.25
• TPSA: 195.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1039.58
LogP ≤ 5	9.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethanesulfonyl chloride?

The IUPAC name of 3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethanesulfonyl chloride (CID 157247884) is 3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethanesulfonyl chloride.

What is the SMILES notation for 3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethanesulfonyl chloride?

The canonical SMILES for 3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethanesulfonyl chloride is CCS(=O)(=O)Cl.CCS(=O)(=O)N1CCC(n2cc(-c3cnc4[nH]cc(-c5cc(F)cc(F)c5OC)c4c3)cn2)CC1.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12.

What is the InChIKey of 3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethanesulfonyl chloride?

The InChIKey is AVZPPWRWGZCGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O3S.C22H21F2N5O.C2H5ClO2S/c1-3-35(32,33)30-6-4-18(5-7-30)31-14-16(12-29-31)15-8-20-21(13-28-24(20)27-11-15)19-9-17(25)10-22(26)23(19)34-2;1-30-21-17(7-15(23)8-20(21)24)19-11-27-22-18(19)6-13(9-26-22)14-10-28-29(12-14)16-2-4-25-5-3-16;1-2-6(3,4)5/h8-14,18H,3-7H2,1-2H3,(H,27,28);6-12,16,25H,2-5H2,1H3,(H,26,27);2H2,1H3.

What are the key properties of 3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethanesulfonyl chloride?

3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethanesulfonyl chloride has a molecular weight of 1039.58 g/mol, XLogP of 9.25, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ethanesulfonyl chloride is sourced from PubChem (CID 157247884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).