2-[4-[4-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanol;3-(3,5-difluoro-2-methylphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methylphenyl)-5-[4-(4-methylsulfonylpiperazin-1-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[1-[3-(3,5-difluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-4-yl]piperazin-1-yl]ethanol;[2-fluoro-4-methyl-6-[5-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanol

C119H126F9N27O10S3 — CID 157481859

About 2-[4-[4-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanol;3-(3,5-difluoro-2-methylphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methylphenyl)-5-[4-(4-methylsulfonylpiperazin-1-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[1-[3-(3,5-difluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-4-yl]piperazin-1-yl]ethanol;[2-fluoro-4-methyl-6-[5-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanol

2-[4-[4-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanol;3-(3,5-difluoro-2-methylphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methylphenyl)-5-[4-(4-methylsulfonylpiperazin-1-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[1-[3-(3,5-difluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-4-yl]piperazin-1-yl]ethanol;[2-fluoro-4-methyl-6-[5-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanol (PubChem CID 157481859) has the molecular formula C119H126F9N27O10S3 and a molecular weight of 2361.68 g/mol. Its IUPAC name is 2-[4-[4-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanol;3-(3,5-difluoro-2-methylphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methylphenyl)-5-[4-(4-methylsulfonylpiperazin-1-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[1-[3-(3,5-difluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-4-yl]piperazin-1-yl]ethanol;[2-fluoro-4-methyl-6-[5-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanol.

Molecular Properties

• Compound Name: 2-[4-[4-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanol;3-(3,5-difluoro-2-methylphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methylphenyl)-5-[4-(4-methylsulfonylpiperazin-1-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[1-[3-(3,5-difluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-4-yl]piperazin-1-yl]ethanol;[2-fluoro-4-methyl-6-[5-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanol
• PubChem CID: 157481859
• Molecular Formula: C119H126F9N27O10S3
• Molecular Weight: 2361.68 g/mol
• Exact Mass: 2359.92
• IUPAC Name: 2-[4-[4-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanol;3-(3,5-difluoro-2-methylphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methylphenyl)-5-[4-(4-methylsulfonylpiperazin-1-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[1-[3-(3,5-difluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-4-yl]piperazin-1-yl]ethanol;[2-fluoro-4-methyl-6-[5-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanol
• SMILES: CCCS(=O)(=O)N1CCC(n2cc(-c3cnc4[nH]cc(-c5cc(C)cc(F)c5CO)c4c3)cn2)CC1.CCS(=O)(=O)N1CCC(n2cc(-c3cnc4[nH]cc(-c5cc(F)cc(F)c5C)c4c3)cn2)CC1.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3cnn(C4CCN(CCO)CC4)c3)cc12.Cc1c(F)cc(F)cc1-c1c[nH]c2ncc(-n3cc(N4CCN(CCO)CC4)cn3)cc12.Cc1c(F)cc(F)cc1-c1c[nH]c2ncc(-n3cc(N4CCN(S(C)(=O)=O)CC4)cn3)cc12
• InChI: InChI=1S/C26H30FN5O3S.C24H25F2N5O2S.C24H25F2N5O2.C23H24F2N6O.C22H22F2N6O2S/c1-3-8-36(34,35)31-6-4-20(5-7-31)32-15-19(13-30-32)18-11-22-23(14-29-26(22)28-12-18)21-9-17(2)10-25(27)24(21)16-33;1-3-34(32,33)30-6-4-19(5-7-30)31-14-17(12-29-31)16-8-21-22(13-28-24(21)27-11-16)20-9-18(25)10-23(26)15(20)2;1-33-23-19(9-17(25)10-22(23)26)21-13-28-24-20(21)8-15(11-27-24)16-12-29-31(14-16)18-2-4-30(5-3-18)6-7-32;1-15-19(8-16(24)9-22(15)25)21-13-27-23-20(21)10-17(11-26-23)31-14-18(12-28-31)30-4-2-29(3-5-30)6-7-32;1-14-18(7-15(23)8-21(14)24)20-12-26-22-19(20)9-16(10-25-22)30-13-17(11-27-30)28-3-5-29(6-4-28)33(2,31)32/h9-15,20,33H,3-8,16H2,1-2H3,(H,28,29);8-14,19H,3-7H2,1-2H3,(H,27,28);8-14,18,32H,2-7H2,1H3,(H,27,28);8-14,32H,2-7H2,1H3,(H,26,27);7-13H,3-6H2,1-2H3,(H,25,26)
• InChIKey: BWGDHAKGNAWHIW-UHFFFAOYSA-N
• XLogP: 19.29
• TPSA: 427.52 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2361.68
LogP ≤ 5	19.29
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanol;3-(3,5-difluoro-2-methylphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methylphenyl)-5-[4-(4-methylsulfonylpiperazin-1-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[1-[3-(3,5-difluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-4-yl]piperazin-1-yl]ethanol;[2-fluoro-4-methyl-6-[5-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanol?

The IUPAC name of 2-[4-[4-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanol;3-(3,5-difluoro-2-methylphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methylphenyl)-5-[4-(4-methylsulfonylpiperazin-1-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[1-[3-(3,5-difluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-4-yl]piperazin-1-yl]ethanol;[2-fluoro-4-methyl-6-[5-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanol (CID 157481859) is 2-[4-[4-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanol;3-(3,5-difluoro-2-methylphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methylphenyl)-5-[4-(4-methylsulfonylpiperazin-1-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[1-[3-(3,5-difluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-4-yl]piperazin-1-yl]ethanol;[2-fluoro-4-methyl-6-[5-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanol.

What is the SMILES notation for 2-[4-[4-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanol;3-(3,5-difluoro-2-methylphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methylphenyl)-5-[4-(4-methylsulfonylpiperazin-1-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[1-[3-(3,5-difluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-4-yl]piperazin-1-yl]ethanol;[2-fluoro-4-methyl-6-[5-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanol?

The canonical SMILES for 2-[4-[4-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanol;3-(3,5-difluoro-2-methylphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methylphenyl)-5-[4-(4-methylsulfonylpiperazin-1-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[1-[3-(3,5-difluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-4-yl]piperazin-1-yl]ethanol;[2-fluoro-4-methyl-6-[5-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanol is CCCS(=O)(=O)N1CCC(n2cc(-c3cnc4[nH]cc(-c5cc(C)cc(F)c5CO)c4c3)cn2)CC1.CCS(=O)(=O)N1CCC(n2cc(-c3cnc4[nH]cc(-c5cc(F)cc(F)c5C)c4c3)cn2)CC1.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3cnn(C4CCN(CCO)CC4)c3)cc12.Cc1c(F)cc(F)cc1-c1c[nH]c2ncc(-n3cc(N4CCN(CCO)CC4)cn3)cc12.Cc1c(F)cc(F)cc1-c1c[nH]c2ncc(-n3cc(N4CCN(S(C)(=O)=O)CC4)cn3)cc12.

What is the InChIKey of 2-[4-[4-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanol;3-(3,5-difluoro-2-methylphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methylphenyl)-5-[4-(4-methylsulfonylpiperazin-1-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[1-[3-(3,5-difluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-4-yl]piperazin-1-yl]ethanol;[2-fluoro-4-methyl-6-[5-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanol?

The InChIKey is BWGDHAKGNAWHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O3S.C24H25F2N5O2S.C24H25F2N5O2.C23H24F2N6O.C22H22F2N6O2S/c1-3-8-36(34,35)31-6-4-20(5-7-31)32-15-19(13-30-32)18-11-22-23(14-29-26(22)28-12-18)21-9-17(2)10-25(27)24(21)16-33;1-3-34(32,33)30-6-4-19(5-7-30)31-14-17(12-29-31)16-8-21-22(13-28-24(21)27-11-16)20-9-18(25)10-23(26)15(20)2;1-33-23-19(9-17(25)10-22(23)26)21-13-28-24-20(21)8-15(11-27-24)16-12-29-31(14-16)18-2-4-30(5-3-18)6-7-32;1-15-19(8-16(24)9-22(15)25)21-13-27-23-20(21)10-17(11-26-23)31-14-18(12-28-31)30-4-2-29(3-5-30)6-7-32;1-14-18(7-15(23)8-21(14)24)20-12-26-22-19(20)9-16(10-25-22)30-13-17(11-27-30)28-3-5-29(6-4-28)33(2,31)32/h9-15,20,33H,3-8,16H2,1-2H3,(H,28,29);8-14,19H,3-7H2,1-2H3,(H,27,28);8-14,18,32H,2-7H2,1H3,(H,27,28);8-14,32H,2-7H2,1H3,(H,26,27);7-13H,3-6H2,1-2H3,(H,25,26).

What are the key properties of 2-[4-[4-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanol;3-(3,5-difluoro-2-methylphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methylphenyl)-5-[4-(4-methylsulfonylpiperazin-1-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[1-[3-(3,5-difluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-4-yl]piperazin-1-yl]ethanol;[2-fluoro-4-methyl-6-[5-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanol?

2-[4-[4-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanol;3-(3,5-difluoro-2-methylphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methylphenyl)-5-[4-(4-methylsulfonylpiperazin-1-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[1-[3-(3,5-difluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-4-yl]piperazin-1-yl]ethanol;[2-fluoro-4-methyl-6-[5-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanol has a molecular weight of 2361.68 g/mol, XLogP of 19.29, 27 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanol;3-(3,5-difluoro-2-methylphenyl)-5-[1-(1-ethylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methylphenyl)-5-[4-(4-methylsulfonylpiperazin-1-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[1-[3-(3,5-difluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-4-yl]piperazin-1-yl]ethanol;[2-fluoro-4-methyl-6-[5-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanol is sourced from PubChem (CID 157481859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).