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

C20H19N5 — CID 58259318

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

3-[[2-[2-(4-methyl-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58259318) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 3-[[2-[2-(4-methyl-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[[2-[2-(4-methyl-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 58259318
• Molecular Formula: C20H19N5
• Molecular Weight: 329.41 g/mol
• Exact Mass: 329.16
• IUPAC Name: 3-[[2-[2-(4-methyl-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
• SMILES: Cc1ccncc1CCc1ncc(Cc2c[nH]c3ncccc23)cn1
• InChI: InChI=1S/C20H19N5/c1-14-6-8-21-12-16(14)4-5-19-23-10-15(11-24-19)9-17-13-25-20-18(17)3-2-7-22-20/h2-3,6-8,10-13H,4-5,9H2,1H3,(H,22,25)
• InChIKey: NLNJBRGJNALARQ-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.41
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[[2-[2-(4-methyl-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 58259318) is 3-[[2-[2-(4-methyl-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.

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

The canonical SMILES for 3-[[2-[2-(4-methyl-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is Cc1ccncc1CCc1ncc(Cc2c[nH]c3ncccc23)cn1.

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

The InChIKey is NLNJBRGJNALARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-14-6-8-21-12-16(14)4-5-19-23-10-15(11-24-19)9-17-13-25-20-18(17)3-2-7-22-20/h2-3,6-8,10-13H,4-5,9H2,1H3,(H,22,25).

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

3-[[2-[2-(4-methyl-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 329.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[2-(4-methyl-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58259318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).