3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol

C26H20FN7O — CID 137034018

About 3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol

3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol (PubChem CID 137034018) has the molecular formula C26H20FN7O and a molecular weight of 465.49 g/mol. Its IUPAC name is 3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol.

Molecular Properties

• Compound Name: 3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol
• PubChem CID: 137034018
• Molecular Formula: C26H20FN7O
• Molecular Weight: 465.49 g/mol
• Exact Mass: 465.17
• IUPAC Name: 3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol
• SMILES: CN(C)c1cncc(-c2cc3c(-c4cc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C26H20FN7O/c1-34(2)17-6-15(11-28-12-17)22-9-20-24(13-30-22)32-33-26(20)23-10-19-21(31-23)3-4-29-25(19)14-5-16(27)8-18(35)7-14/h3-13,31,35H,1-2H3,(H,32,33)
• InChIKey: YRJLOVGRPZZKQB-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 106.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.49
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol?

The IUPAC name of 3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol (CID 137034018) is 3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol.

What is the SMILES notation for 3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol?

The canonical SMILES for 3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol is CN(C)c1cncc(-c2cc3c(-c4cc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)n[nH]c3cn2)c1.

What is the InChIKey of 3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol?

The InChIKey is YRJLOVGRPZZKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7O/c1-34(2)17-6-15(11-28-12-17)22-9-20-24(13-30-22)32-33-26(20)23-10-19-21(31-23)3-4-29-25(19)14-5-16(27)8-18(35)7-14/h3-13,31,35H,1-2H3,(H,32,33).

What are the key properties of 3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol?

3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol has a molecular weight of 465.49 g/mol, XLogP of 5.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol is sourced from PubChem (CID 137034018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).