5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1-[3-fluoro-4-methoxy-5-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]pyrrolo[2,3-b]pyridine

C37H24ClF3N4O3S — CID 144646875

About 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1-[3-fluoro-4-methoxy-5-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]pyrrolo[2,3-b]pyridine

5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1-[3-fluoro-4-methoxy-5-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]pyrrolo[2,3-b]pyridine (PubChem CID 144646875) has the molecular formula C37H24ClF3N4O3S and a molecular weight of 697.14 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1-[3-fluoro-4-methoxy-5-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1-[3-fluoro-4-methoxy-5-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]pyrrolo[2,3-b]pyridine
• PubChem CID: 144646875
• Molecular Formula: C37H24ClF3N4O3S
• Molecular Weight: 697.14 g/mol
• Exact Mass: 696.12
• IUPAC Name: 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1-[3-fluoro-4-methoxy-5-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]pyrrolo[2,3-b]pyridine
• SMILES: COc1c(F)cc(-n2cc(-c3cc(F)cc(F)c3OC)c3cc(-c4ccc(Cl)s4)cnc32)cc1-c1c[nH]c2ncc(-c3ccc(C)o3)cc12
• InChI: InChI=1S/C37H24ClF3N4O3S/c1-18-4-5-31(48-18)19-8-25-27(16-43-36(25)42-14-19)24-12-22(13-30(41)35(24)47-3)45-17-28(23-10-21(39)11-29(40)34(23)46-2)26-9-20(15-44-37(26)45)32-6-7-33(38)49-32/h4-17H,1-3H3,(H,42,43)
• InChIKey: BJBRCUHMQHKOQG-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 78.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.14
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1-[3-fluoro-4-methoxy-5-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]pyrrolo[2,3-b]pyridine (CID 144646875) is 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1-[3-fluoro-4-methoxy-5-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]pyrrolo[2,3-b]pyridine.

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

The canonical SMILES for 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1-[3-fluoro-4-methoxy-5-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]pyrrolo[2,3-b]pyridine is COc1c(F)cc(-n2cc(-c3cc(F)cc(F)c3OC)c3cc(-c4ccc(Cl)s4)cnc32)cc1-c1c[nH]c2ncc(-c3ccc(C)o3)cc12.

What is the InChIKey of 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1-[3-fluoro-4-methoxy-5-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]pyrrolo[2,3-b]pyridine?

The InChIKey is BJBRCUHMQHKOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24ClF3N4O3S/c1-18-4-5-31(48-18)19-8-25-27(16-43-36(25)42-14-19)24-12-22(13-30(41)35(24)47-3)45-17-28(23-10-21(39)11-29(40)34(23)46-2)26-9-20(15-44-37(26)45)32-6-7-33(38)49-32/h4-17H,1-3H3,(H,42,43).

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

5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1-[3-fluoro-4-methoxy-5-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]pyrrolo[2,3-b]pyridine has a molecular weight of 697.14 g/mol, XLogP of 10.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1-[3-fluoro-4-methoxy-5-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 144646875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).