1-[[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol

C26H21FN8O — CID 167287023

About 1-[[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol

1-[[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol (PubChem CID 167287023) has the molecular formula C26H21FN8O and a molecular weight of 480.51 g/mol. Its IUPAC name is 1-[[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol.

Molecular Properties

• Compound Name: 1-[[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol
• PubChem CID: 167287023
• Molecular Formula: C26H21FN8O
• Molecular Weight: 480.51 g/mol
• Exact Mass: 480.18
• IUPAC Name: 1-[[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol
• SMILES: CCC(O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccc(F)c6)c5[nH]4)c3n2)c1
• InChI: InChI=1S/C26H21FN8O/c1-2-21(36)30-17-11-15(12-28-13-17)19-6-7-20-23(31-19)24(35-34-20)26-32-22-18(8-9-29-25(22)33-26)14-4-3-5-16(27)10-14/h3-13,21,30,36H,2H2,1H3,(H,34,35)(H,29,32,33)
• InChIKey: JMGGDANWPBQWSX-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 128.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.51
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol?

The IUPAC name of 1-[[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol (CID 167287023) is 1-[[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol.

What is the SMILES notation for 1-[[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol?

The canonical SMILES for 1-[[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol is CCC(O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccc(F)c6)c5[nH]4)c3n2)c1.

What is the InChIKey of 1-[[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol?

The InChIKey is JMGGDANWPBQWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN8O/c1-2-21(36)30-17-11-15(12-28-13-17)19-6-7-20-23(31-19)24(35-34-20)26-32-22-18(8-9-29-25(22)33-26)14-4-3-5-16(27)10-14/h3-13,21,30,36H,2H2,1H3,(H,34,35)(H,29,32,33).

What are the key properties of 1-[[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol?

1-[[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol has a molecular weight of 480.51 g/mol, XLogP of 4.90, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 167287023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).