5-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-methyl-4-oxopyridine-3-carboxamide

C26H18F2N4O3 — CID 24901683

About 5-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-methyl-4-oxopyridine-3-carboxamide

5-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-methyl-4-oxopyridine-3-carboxamide (PubChem CID 24901683) has the molecular formula C26H18F2N4O3 and a molecular weight of 472.45 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-methyl-4-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-methyl-4-oxopyridine-3-carboxamide
• PubChem CID: 24901683
• Molecular Formula: C26H18F2N4O3
• Molecular Weight: 472.45 g/mol
• Exact Mass: 472.13
• IUPAC Name: 5-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-methyl-4-oxopyridine-3-carboxamide
• SMILES: Cn1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1
• InChI: InChI=1S/C26H18F2N4O3/c1-32-13-19(15-2-4-16(27)5-3-15)24(33)20(14-32)26(34)31-17-6-7-23(21(28)12-17)35-22-9-11-30-25-18(22)8-10-29-25/h2-14H,1H3,(H,29,30)(H,31,34)
• InChIKey: DPHRUYVHBJQPJC-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 89.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.45
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-methyl-4-oxopyridine-3-carboxamide?

The IUPAC name of 5-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-methyl-4-oxopyridine-3-carboxamide (CID 24901683) is 5-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-methyl-4-oxopyridine-3-carboxamide.

What is the SMILES notation for 5-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-methyl-4-oxopyridine-3-carboxamide?

The canonical SMILES for 5-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-methyl-4-oxopyridine-3-carboxamide is Cn1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1.

What is the InChIKey of 5-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-methyl-4-oxopyridine-3-carboxamide?

The InChIKey is DPHRUYVHBJQPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F2N4O3/c1-32-13-19(15-2-4-16(27)5-3-15)24(33)20(14-32)26(34)31-17-6-7-23(21(28)12-17)35-22-9-11-30-25-18(22)8-10-29-25/h2-14H,1H3,(H,29,30)(H,31,34).

What are the key properties of 5-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-methyl-4-oxopyridine-3-carboxamide?

5-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-methyl-4-oxopyridine-3-carboxamide has a molecular weight of 472.45 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-methyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 24901683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).