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

C26H25FN10O — CID 137286643

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

1-[[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol (PubChem CID 137286643) has the molecular formula C26H25FN10O and a molecular weight of 512.55 g/mol. Its IUPAC name is 1-[[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol.

Molecular Properties

• Compound Name: 1-[[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol
• PubChem CID: 137286643
• Molecular Formula: C26H25FN10O
• Molecular Weight: 512.55 g/mol
• Exact Mass: 512.22
• IUPAC Name: 1-[[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol
• SMILES: CCCCC(O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-n6cnc(C)c6)c5[nH]4)c3c2F)c1
• InChI: InChI=1S/C26H25FN10O/c1-3-4-5-19(38)32-16-8-15(9-28-10-16)17-11-30-24-20(21(17)27)23(35-36-24)26-33-22-18(6-7-29-25(22)34-26)37-12-14(2)31-13-37/h6-13,19,32,38H,3-5H2,1-2H3,(H,29,33,34)(H,30,35,36)
• InChIKey: SHAZQTONVVVCDX-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 146.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.55
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

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-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol?

The IUPAC name of 1-[[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol (CID 137286643) is 1-[[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol.

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

The canonical SMILES for 1-[[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol is CCCCC(O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-n6cnc(C)c6)c5[nH]4)c3c2F)c1.

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

The InChIKey is SHAZQTONVVVCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN10O/c1-3-4-5-19(38)32-16-8-15(9-28-10-16)17-11-30-24-20(21(17)27)23(35-36-24)26-33-22-18(6-7-29-25(22)34-26)37-12-14(2)31-13-37/h6-13,19,32,38H,3-5H2,1-2H3,(H,29,33,34)(H,30,35,36).

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

1-[[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol has a molecular weight of 512.55 g/mol, XLogP of 4.51, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol is sourced from PubChem (CID 137286643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).