3-[[2-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

C20H18FN5O — CID 58259367

About 3-[[2-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

3-[[2-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58259367) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 3-[[2-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[[2-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 58259367
• Molecular Formula: C20H18FN5O
• Molecular Weight: 363.40 g/mol
• Exact Mass: 363.15
• IUPAC Name: 3-[[2-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
• SMILES: COc1cc(CCc2ncc(Cc3c[nH]c4ncccc34)cn2)c(F)cn1
• InChI: InChI=1S/C20H18FN5O/c1-27-19-8-14(17(21)12-25-19)4-5-18-23-9-13(10-24-18)7-15-11-26-20-16(15)3-2-6-22-20/h2-3,6,8-12H,4-5,7H2,1H3,(H,22,26)
• InChIKey: RSBYCUXVJODNPG-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.40
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 3-[[2-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 58259367) is 3-[[2-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 3-[[2-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 3-[[2-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is COc1cc(CCc2ncc(Cc3c[nH]c4ncccc34)cn2)c(F)cn1.

What is the InChIKey of 3-[[2-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is RSBYCUXVJODNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-27-19-8-14(17(21)12-25-19)4-5-18-23-9-13(10-24-18)7-15-11-26-20-16(15)3-2-6-22-20/h2-3,6,8-12H,4-5,7H2,1H3,(H,22,26).

What are the key properties of 3-[[2-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?

3-[[2-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 363.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58259367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).