3-(3,5-difluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2,4-difluoro-6-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;3-(3-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2-fluoro-6-[4-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol

C88H60F6N10O6S4 — CID 158576009

About 3-(3,5-difluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2,4-difluoro-6-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;3-(3-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2-fluoro-6-[4-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol

3-(3,5-difluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2,4-difluoro-6-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;3-(3-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2-fluoro-6-[4-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol (PubChem CID 158576009) has the molecular formula C88H60F6N10O6S4 and a molecular weight of 1595.77 g/mol. Its IUPAC name is 3-(3,5-difluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2,4-difluoro-6-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;3-(3-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2-fluoro-6-[4-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol.

Molecular Properties

• Compound Name: 3-(3,5-difluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2,4-difluoro-6-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;3-(3-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2-fluoro-6-[4-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
• PubChem CID: 158576009
• Molecular Formula: C88H60F6N10O6S4
• Molecular Weight: 1595.77 g/mol
• Exact Mass: 1594.35
• IUPAC Name: 3-(3,5-difluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2,4-difluoro-6-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;3-(3-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2-fluoro-6-[4-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
• SMILES: COc1c(F)cc(F)cc1-c1c[nH]c2nccc(-c3ccsc3)c12.COc1c(F)cccc1-c1c[nH]c2nccc(-c3ccsc3)c12.Cc1ccc(-c2ccnc3[nH]cc(-c4cccc(F)c4O)c23)o1.Oc1c(F)cc(F)cc1-c1c[nH]c2nccc(-c3ccsc3)c12.Oc1ccccc1-c1c[nH]c2nccc(-c3ccsc3)c12
• InChI: InChI=1S/C18H12F2N2OS.C18H13FN2O2.C18H13FN2OS.C17H10F2N2OS.C17H12N2OS/c1-23-17-13(6-11(19)7-15(17)20)14-8-22-18-16(14)12(2-4-21-18)10-3-5-24-9-10;1-10-5-6-15(23-10)12-7-8-20-18-16(12)13(9-21-18)11-3-2-4-14(19)17(11)22;1-22-17-13(3-2-4-15(17)19)14-9-21-18-16(14)12(5-7-20-18)11-6-8-23-10-11;18-10-5-12(16(22)14(19)6-10)13-7-21-17-15(13)11(1-3-20-17)9-2-4-23-8-9;20-15-4-2-1-3-13(15)14-9-19-17-16(14)12(5-7-18-17)11-6-8-21-10-11/h2-9H,1H3,(H,21,22);2-9,22H,1H3,(H,20,21);2-10H,1H3,(H,20,21);1-8,22H,(H,20,21);1-10,20H,(H,18,19)
• InChIKey: HSQYTBJVXFZFGI-UHFFFAOYSA-N
• XLogP: 24.60
• TPSA: 235.69 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1595.77
LogP ≤ 5	24.60
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2,4-difluoro-6-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;3-(3-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2-fluoro-6-[4-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol?

The IUPAC name of 3-(3,5-difluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2,4-difluoro-6-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;3-(3-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2-fluoro-6-[4-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol (CID 158576009) is 3-(3,5-difluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2,4-difluoro-6-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;3-(3-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2-fluoro-6-[4-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol.

What is the SMILES notation for 3-(3,5-difluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2,4-difluoro-6-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;3-(3-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2-fluoro-6-[4-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol?

The canonical SMILES for 3-(3,5-difluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2,4-difluoro-6-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;3-(3-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2-fluoro-6-[4-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol is COc1c(F)cc(F)cc1-c1c[nH]c2nccc(-c3ccsc3)c12.COc1c(F)cccc1-c1c[nH]c2nccc(-c3ccsc3)c12.Cc1ccc(-c2ccnc3[nH]cc(-c4cccc(F)c4O)c23)o1.Oc1c(F)cc(F)cc1-c1c[nH]c2nccc(-c3ccsc3)c12.Oc1ccccc1-c1c[nH]c2nccc(-c3ccsc3)c12.

What is the InChIKey of 3-(3,5-difluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2,4-difluoro-6-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;3-(3-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2-fluoro-6-[4-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol?

The InChIKey is HSQYTBJVXFZFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2OS.C18H13FN2O2.C18H13FN2OS.C17H10F2N2OS.C17H12N2OS/c1-23-17-13(6-11(19)7-15(17)20)14-8-22-18-16(14)12(2-4-21-18)10-3-5-24-9-10;1-10-5-6-15(23-10)12-7-8-20-18-16(12)13(9-21-18)11-3-2-4-14(19)17(11)22;1-22-17-13(3-2-4-15(17)19)14-9-21-18-16(14)12(5-7-20-18)11-6-8-23-10-11;18-10-5-12(16(22)14(19)6-10)13-7-21-17-15(13)11(1-3-20-17)9-2-4-23-8-9;20-15-4-2-1-3-13(15)14-9-19-17-16(14)12(5-7-18-17)11-6-8-21-10-11/h2-9H,1H3,(H,21,22);2-9,22H,1H3,(H,20,21);2-10H,1H3,(H,20,21);1-8,22H,(H,20,21);1-10,20H,(H,18,19).

What are the key properties of 3-(3,5-difluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2,4-difluoro-6-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;3-(3-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2-fluoro-6-[4-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol?

3-(3,5-difluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2,4-difluoro-6-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;3-(3-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2-fluoro-6-[4-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol has a molecular weight of 1595.77 g/mol, XLogP of 24.60, 12 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-difluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2,4-difluoro-6-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;3-(3-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2-fluoro-6-[4-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol is sourced from PubChem (CID 158576009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).