5-(5-ethyl-3-pyridinyl)-3-[5-methyl-4-[(1E)-1-thiophen-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[4,3-b]pyridine

C26H23N5S — CID 145251729

About 5-(5-ethyl-3-pyridinyl)-3-[5-methyl-4-[(1E)-1-thiophen-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[4,3-b]pyridine

5-(5-ethyl-3-pyridinyl)-3-[5-methyl-4-[(1E)-1-thiophen-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 145251729) has the molecular formula C26H23N5S and a molecular weight of 437.57 g/mol. Its IUPAC name is 5-(5-ethyl-3-pyridinyl)-3-[5-methyl-4-[(1E)-1-thiophen-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 5-(5-ethyl-3-pyridinyl)-3-[5-methyl-4-[(1E)-1-thiophen-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 145251729
• Molecular Formula: C26H23N5S
• Molecular Weight: 437.57 g/mol
• Exact Mass: 437.17
• IUPAC Name: 5-(5-ethyl-3-pyridinyl)-3-[5-methyl-4-[(1E)-1-thiophen-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[4,3-b]pyridine
• SMILES: C=C/C=C(/c1cccs1)c1cc(-c2n[nH]c3ccc(-c4cncc(CC)c4)nc23)[nH]c1C
• InChI: InChI=1S/C26H23N5S/c1-4-7-19(24-8-6-11-32-24)20-13-23(28-16(20)3)26-25-22(30-31-26)10-9-21(29-25)18-12-17(5-2)14-27-15-18/h4,6-15,28H,1,5H2,2-3H3,(H,30,31)/b19-7+
• InChIKey: VGFSDIUBUJCYJK-FBCYGCLPSA-N
• XLogP: 6.57
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.57
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-3-pyridinyl)-3-[5-methyl-4-[(1E)-1-thiophen-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[4,3-b]pyridine?

The IUPAC name of 5-(5-ethyl-3-pyridinyl)-3-[5-methyl-4-[(1E)-1-thiophen-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[4,3-b]pyridine (CID 145251729) is 5-(5-ethyl-3-pyridinyl)-3-[5-methyl-4-[(1E)-1-thiophen-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[4,3-b]pyridine.

What is the SMILES notation for 5-(5-ethyl-3-pyridinyl)-3-[5-methyl-4-[(1E)-1-thiophen-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[4,3-b]pyridine?

The canonical SMILES for 5-(5-ethyl-3-pyridinyl)-3-[5-methyl-4-[(1E)-1-thiophen-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[4,3-b]pyridine is C=C/C=C(/c1cccs1)c1cc(-c2n[nH]c3ccc(-c4cncc(CC)c4)nc23)[nH]c1C.

What is the InChIKey of 5-(5-ethyl-3-pyridinyl)-3-[5-methyl-4-[(1E)-1-thiophen-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[4,3-b]pyridine?

The InChIKey is VGFSDIUBUJCYJK-FBCYGCLPSA-N. The full InChI is InChI=1S/C26H23N5S/c1-4-7-19(24-8-6-11-32-24)20-13-23(28-16(20)3)26-25-22(30-31-26)10-9-21(29-25)18-12-17(5-2)14-27-15-18/h4,6-15,28H,1,5H2,2-3H3,(H,30,31)/b19-7+.

What are the key properties of 5-(5-ethyl-3-pyridinyl)-3-[5-methyl-4-[(1E)-1-thiophen-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[4,3-b]pyridine?

5-(5-ethyl-3-pyridinyl)-3-[5-methyl-4-[(1E)-1-thiophen-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 437.57 g/mol, XLogP of 6.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-ethyl-3-pyridinyl)-3-[5-methyl-4-[(1E)-1-thiophen-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 145251729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).