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

C24H16FN7O2 — CID 136937473

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

5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol (PubChem CID 136937473) has the molecular formula C24H16FN7O2 and a molecular weight of 453.44 g/mol. Its IUPAC name is 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol.

Molecular Properties

• Compound Name: 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
• PubChem CID: 136937473
• Molecular Formula: C24H16FN7O2
• Molecular Weight: 453.44 g/mol
• Exact Mass: 453.13
• IUPAC Name: 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
• SMILES: COc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(O)c6)cc45)[nH]c23)c1
• InChI: InChI=1S/C24H16FN7O2/c1-34-16-6-12(4-14(25)7-16)17-2-3-27-23-21(17)29-24(30-23)22-18-8-19(28-11-20(18)31-32-22)13-5-15(33)10-26-9-13/h2-11,33H,1H3,(H,31,32)(H,27,29,30)
• InChIKey: ROHCSNRNHMXJPC-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 125.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.44
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol (CID 136937473) is 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol.

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

The canonical SMILES for 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol is COc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(O)c6)cc45)[nH]c23)c1.

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

The InChIKey is ROHCSNRNHMXJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN7O2/c1-34-16-6-12(4-14(25)7-16)17-2-3-27-23-21(17)29-24(30-23)22-18-8-19(28-11-20(18)31-32-22)13-5-15(33)10-26-9-13/h2-11,33H,1H3,(H,31,32)(H,27,29,30).

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

5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol has a molecular weight of 453.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol is sourced from PubChem (CID 136937473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).