3-[2-[5-(6-cyclohexyloxypyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenol

C28H23FN8O2 — CID 136947539

About 3-[2-[5-(6-cyclohexyloxypyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenol

3-[2-[5-(6-cyclohexyloxypyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenol (PubChem CID 136947539) has the molecular formula C28H23FN8O2 and a molecular weight of 522.54 g/mol. Its IUPAC name is 3-[2-[5-(6-cyclohexyloxypyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenol.

Molecular Properties

• Compound Name: 3-[2-[5-(6-cyclohexyloxypyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenol
• PubChem CID: 136947539
• Molecular Formula: C28H23FN8O2
• Molecular Weight: 522.54 g/mol
• Exact Mass: 522.19
• IUPAC Name: 3-[2-[5-(6-cyclohexyloxypyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenol
• SMILES: Oc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OC7CCCCC7)n6)cc45)nc23)c1
• InChI: InChI=1S/C28H23FN8O2/c29-16-6-15(7-17(38)8-16)20-10-30-12-24-26(20)35-28(34-24)27-19-9-21(32-13-22(19)36-37-27)23-11-31-14-25(33-23)39-18-4-2-1-3-5-18/h6-14,18,38H,1-5H2,(H,34,35)(H,36,37)
• InChIKey: GDEQVWJUPYAJHG-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 138.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.54
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(6-cyclohexyloxypyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenol?

The IUPAC name of 3-[2-[5-(6-cyclohexyloxypyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenol (CID 136947539) is 3-[2-[5-(6-cyclohexyloxypyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenol.

What is the SMILES notation for 3-[2-[5-(6-cyclohexyloxypyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenol?

The canonical SMILES for 3-[2-[5-(6-cyclohexyloxypyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenol is Oc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OC7CCCCC7)n6)cc45)nc23)c1.

What is the InChIKey of 3-[2-[5-(6-cyclohexyloxypyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenol?

The InChIKey is GDEQVWJUPYAJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN8O2/c29-16-6-15(7-17(38)8-16)20-10-30-12-24-26(20)35-28(34-24)27-19-9-21(32-13-22(19)36-37-27)23-11-31-14-25(33-23)39-18-4-2-1-3-5-18/h6-14,18,38H,1-5H2,(H,34,35)(H,36,37).

What are the key properties of 3-[2-[5-(6-cyclohexyloxypyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenol?

3-[2-[5-(6-cyclohexyloxypyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenol has a molecular weight of 522.54 g/mol, XLogP of 5.58, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[5-(6-cyclohexyloxypyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenol is sourced from PubChem (CID 136947539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).