N-[2,6-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;tris(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide)

C100H66F6N16O12 — CID 158425873

About N-[2,6-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;tris(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide)

N-[2,6-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;tris(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide) (PubChem CID 158425873) has the molecular formula C100H66F6N16O12 and a molecular weight of 1797.72 g/mol. Its IUPAC name is N-[2,6-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;tris(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide).

Molecular Properties

• Compound Name: N-[2,6-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;tris(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide)
• PubChem CID: 158425873
• Molecular Formula: C100H66F6N16O12
• Molecular Weight: 1797.72 g/mol
• Exact Mass: 1796.50
• IUPAC Name: N-[2,6-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;tris(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide)
• SMILES: O=C(Nc1c(F)cc(Oc2ccnc3[nH]ccc23)cc1F)c1cccn(-c2ccc(F)cc2)c1=O.O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1cccn(-c2ccc(F)cc2)c1=O.O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1cccn(-c2ccc(F)cc2)c1=O.O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1cccn(-c2ccc(F)cc2)c1=O
• InChI: InChI=1S/C25H15F3N4O3.3C25H17FN4O3/c26-14-3-5-15(6-4-14)32-11-1-2-18(25(32)34)24(33)31-22-19(27)12-16(13-20(22)28)35-21-8-10-30-23-17(21)7-9-29-23;3*26-16-3-7-18(8-4-16)30-15-1-2-21(25(30)32)24(31)29-17-5-9-19(10-6-17)33-22-12-14-28-23-20(22)11-13-27-23/h1-13H,(H,29,30)(H,31,33);3*1-15H,(H,27,28)(H,29,31)
• InChIKey: HBAQXXFEBMJPBW-UHFFFAOYSA-N
• XLogP: 19.87
• TPSA: 356.04 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1797.72
LogP ≤ 5	19.87
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[2,6-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;tris(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide)?

The IUPAC name of N-[2,6-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;tris(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide) (CID 158425873) is N-[2,6-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;tris(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide).

What is the SMILES notation for N-[2,6-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;tris(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide)?

The canonical SMILES for N-[2,6-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;tris(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide) is O=C(Nc1c(F)cc(Oc2ccnc3[nH]ccc23)cc1F)c1cccn(-c2ccc(F)cc2)c1=O.O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1cccn(-c2ccc(F)cc2)c1=O.O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1cccn(-c2ccc(F)cc2)c1=O.O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1cccn(-c2ccc(F)cc2)c1=O.

What is the InChIKey of N-[2,6-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;tris(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide)?

The InChIKey is HBAQXXFEBMJPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F3N4O3.3C25H17FN4O3/c26-14-3-5-15(6-4-14)32-11-1-2-18(25(32)34)24(33)31-22-19(27)12-16(13-20(22)28)35-21-8-10-30-23-17(21)7-9-29-23;3*26-16-3-7-18(8-4-16)30-15-1-2-21(25(30)32)24(31)29-17-5-9-19(10-6-17)33-22-12-14-28-23-20(22)11-13-27-23/h1-13H,(H,29,30)(H,31,33);3*1-15H,(H,27,28)(H,29,31).

What are the key properties of N-[2,6-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;tris(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide)?

N-[2,6-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;tris(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide) has a molecular weight of 1797.72 g/mol, XLogP of 19.87, 20 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,6-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;tris(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide) is sourced from PubChem (CID 158425873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).