3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol

C30H20FN7O2 — CID 136937658

About 3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol

3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol (PubChem CID 136937658) has the molecular formula C30H20FN7O2 and a molecular weight of 529.54 g/mol. Its IUPAC name is 3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol.

Molecular Properties

• Compound Name: 3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol
• PubChem CID: 136937658
• Molecular Formula: C30H20FN7O2
• Molecular Weight: 529.54 g/mol
• Exact Mass: 529.17
• IUPAC Name: 3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol
• SMILES: Oc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(OCc7ccccc7)c6)cc45)[nH]c23)c1
• InChI: InChI=1S/C30H20FN7O2/c31-20-8-18(9-21(39)11-20)23-6-7-33-29-27(23)35-30(36-29)28-24-12-25(34-15-26(24)37-38-28)19-10-22(14-32-13-19)40-16-17-4-2-1-3-5-17/h1-15,39H,16H2,(H,37,38)(H,33,35,36)
• InChIKey: YRHBUWNBOQDGKN-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 125.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.54
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol (CID 136937658) is 3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol.

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

The canonical SMILES for 3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol is Oc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(OCc7ccccc7)c6)cc45)[nH]c23)c1.

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

The InChIKey is YRHBUWNBOQDGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20FN7O2/c31-20-8-18(9-21(39)11-20)23-6-7-33-29-27(23)35-30(36-29)28-24-12-25(34-15-26(24)37-38-28)19-10-22(14-32-13-19)40-16-17-4-2-1-3-5-17/h1-15,39H,16H2,(H,37,38)(H,33,35,36).

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

3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol has a molecular weight of 529.54 g/mol, XLogP of 6.05, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol is sourced from PubChem (CID 136937658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).