5-ethyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-ethyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine;5-ethyl-3-methyl-1H-pyrrolo[2,3-b]pyridine

C28H34N8 — CID 162232732

About 5-ethyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-ethyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine;5-ethyl-3-methyl-1H-pyrrolo[2,3-b]pyridine

5-ethyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-ethyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine;5-ethyl-3-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 162232732) has the molecular formula C28H34N8 and a molecular weight of 482.64 g/mol. Its IUPAC name is 5-ethyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-ethyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine;5-ethyl-3-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-ethyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-ethyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine;5-ethyl-3-methyl-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 162232732
• Molecular Formula: C28H34N8
• Molecular Weight: 482.64 g/mol
• Exact Mass: 482.29
• IUPAC Name: 5-ethyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-ethyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine;5-ethyl-3-methyl-1H-pyrrolo[2,3-b]pyridine
• SMILES: CCc1cnc2[nH]cc(C)c2c1.CCc1cnc2[nH]cc(C)c2n1.CCc1cnc2n[nH]c(C)c2c1
• InChI: InChI=1S/C10H12N2.2C9H11N3/c1-3-8-4-9-7(2)5-11-10(9)12-6-8;1-3-7-4-8-6(2)11-12-9(8)10-5-7;1-3-7-5-11-9-8(12-7)6(2)4-10-9/h4-6H,3H2,1-2H3,(H,11,12);4-5H,3H2,1-2H3,(H,10,11,12);4-5H,3H2,1-2H3,(H,10,11)
• InChIKey: ZVQNLRRWYOQEEG-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 111.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.64
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-ethyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine;5-ethyl-3-methyl-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 5-ethyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-ethyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine;5-ethyl-3-methyl-1H-pyrrolo[2,3-b]pyridine (CID 162232732) is 5-ethyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-ethyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine;5-ethyl-3-methyl-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 5-ethyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-ethyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine;5-ethyl-3-methyl-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 5-ethyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-ethyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine;5-ethyl-3-methyl-1H-pyrrolo[2,3-b]pyridine is CCc1cnc2[nH]cc(C)c2c1.CCc1cnc2[nH]cc(C)c2n1.CCc1cnc2n[nH]c(C)c2c1.

What is the InChIKey of 5-ethyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-ethyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine;5-ethyl-3-methyl-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is ZVQNLRRWYOQEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.2C9H11N3/c1-3-8-4-9-7(2)5-11-10(9)12-6-8;1-3-7-4-8-6(2)11-12-9(8)10-5-7;1-3-7-5-11-9-8(12-7)6(2)4-10-9/h4-6H,3H2,1-2H3,(H,11,12);4-5H,3H2,1-2H3,(H,10,11,12);4-5H,3H2,1-2H3,(H,10,11).

What are the key properties of 5-ethyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-ethyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine;5-ethyl-3-methyl-1H-pyrrolo[2,3-b]pyridine?

5-ethyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-ethyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine;5-ethyl-3-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 482.64 g/mol, XLogP of 6.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-ethyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine;5-ethyl-3-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 162232732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).