3-[5-methyl-4-[(1Z,3Z)-1-pyridin-2-ylpenta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine

C25H21N7 — CID 145253059

About 3-[5-methyl-4-[(1Z,3Z)-1-pyridin-2-ylpenta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine

3-[5-methyl-4-[(1Z,3Z)-1-pyridin-2-ylpenta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 145253059) has the molecular formula C25H21N7 and a molecular weight of 419.49 g/mol. Its IUPAC name is 3-[5-methyl-4-[(1Z,3Z)-1-pyridin-2-ylpenta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[5-methyl-4-[(1Z,3Z)-1-pyridin-2-ylpenta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 145253059
• Molecular Formula: C25H21N7
• Molecular Weight: 419.49 g/mol
• Exact Mass: 419.19
• IUPAC Name: 3-[5-methyl-4-[(1Z,3Z)-1-pyridin-2-ylpenta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine
• SMILES: C/C=C\C=C(\c1ccccn1)c1nc(-c2n[nH]c3ccc(-c4ccccn4)nc23)[nH]c1C
• InChI: InChI=1S/C25H21N7/c1-3-4-9-17(18-10-5-7-14-26-18)22-16(2)28-25(30-22)24-23-21(31-32-24)13-12-20(29-23)19-11-6-8-15-27-19/h3-15H,1-2H3,(H,28,30)(H,31,32)/b4-3-,17-9-
• InChIKey: GKTXDPORYCYDFC-VYHZRZITSA-N
• XLogP: 5.12
• TPSA: 96.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.49
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-4-[(1Z,3Z)-1-pyridin-2-ylpenta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine?

The IUPAC name of 3-[5-methyl-4-[(1Z,3Z)-1-pyridin-2-ylpenta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine (CID 145253059) is 3-[5-methyl-4-[(1Z,3Z)-1-pyridin-2-ylpenta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine.

What is the SMILES notation for 3-[5-methyl-4-[(1Z,3Z)-1-pyridin-2-ylpenta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine?

The canonical SMILES for 3-[5-methyl-4-[(1Z,3Z)-1-pyridin-2-ylpenta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine is C/C=C\C=C(\c1ccccn1)c1nc(-c2n[nH]c3ccc(-c4ccccn4)nc23)[nH]c1C.

What is the InChIKey of 3-[5-methyl-4-[(1Z,3Z)-1-pyridin-2-ylpenta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine?

The InChIKey is GKTXDPORYCYDFC-VYHZRZITSA-N. The full InChI is InChI=1S/C25H21N7/c1-3-4-9-17(18-10-5-7-14-26-18)22-16(2)28-25(30-22)24-23-21(31-32-24)13-12-20(29-23)19-11-6-8-15-27-19/h3-15H,1-2H3,(H,28,30)(H,31,32)/b4-3-,17-9-.

What are the key properties of 3-[5-methyl-4-[(1Z,3Z)-1-pyridin-2-ylpenta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine?

3-[5-methyl-4-[(1Z,3Z)-1-pyridin-2-ylpenta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 419.49 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-methyl-4-[(1Z,3Z)-1-pyridin-2-ylpenta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 145253059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).