1-[5-[3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one

C33H24FN7O — CID 158677587

About 1-[5-[3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one

1-[5-[3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one (PubChem CID 158677587) has the molecular formula C33H24FN7O and a molecular weight of 553.60 g/mol. Its IUPAC name is 1-[5-[3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one.

Molecular Properties

• Compound Name: 1-[5-[3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one
• PubChem CID: 158677587
• Molecular Formula: C33H24FN7O
• Molecular Weight: 553.60 g/mol
• Exact Mass: 553.20
• IUPAC Name: 1-[5-[3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one
• SMILES: Cc1cc(F)cc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cncc(CC(=O)Cc7ccccc7)c6)cc45)[nH]c23)c1
• InChI: InChI=1S/C33H24FN7O/c1-19-9-22(14-25(34)10-19)27-7-8-36-32-29(27)38-33(39-32)30-28-15-24(18-37-31(28)41-40-30)23-11-21(16-35-17-23)13-26(42)12-20-5-3-2-4-6-20/h2-11,14-18H,12-13H2,1H3,(H,36,38,39)(H,37,40,41)
• InChIKey: IESGLVUEIJPFLL-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 113.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.60
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one?

The IUPAC name of 1-[5-[3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one (CID 158677587) is 1-[5-[3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one.

What is the SMILES notation for 1-[5-[3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one?

The canonical SMILES for 1-[5-[3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one is Cc1cc(F)cc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cncc(CC(=O)Cc7ccccc7)c6)cc45)[nH]c23)c1.

What is the InChIKey of 1-[5-[3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one?

The InChIKey is IESGLVUEIJPFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24FN7O/c1-19-9-22(14-25(34)10-19)27-7-8-36-32-29(27)38-33(39-32)30-28-15-24(18-37-31(28)41-40-30)23-11-21(16-35-17-23)13-26(42)12-20-5-3-2-4-6-20/h2-11,14-18H,12-13H2,1H3,(H,36,38,39)(H,37,40,41).

What are the key properties of 1-[5-[3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one?

1-[5-[3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one has a molecular weight of 553.60 g/mol, XLogP of 6.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one is sourced from PubChem (CID 158677587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).