PUOVOJFFUOJWID-UHFFFAOYSA-N

C₂₆H₂₀F₂N₈O — CID 137056184

About PUOVOJFFUOJWID-UHFFFAOYSA-N

PUOVOJFFUOJWID-UHFFFAOYSA-N (PubChem CID 137056184) has the molecular formula C₂₆H₂₀F₂N₈O and a molecular weight of 498.50 g/mol. Its IUPAC name is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: PUOVOJFFUOJWID-UHFFFAOYSA-N
• PubChem CID: 137056184
• Molecular Formula: C₂₆H₂₀F₂N₈O
• Molecular Weight: 498.50 g/mol
• Exact Mass: 498.17
• IUPAC Name: 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine
• SMILES: FC1(F)CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6nccc(-c7ccoc7)c6[nH]5)c4c3)c2)C1
• InChI: InChI=1S/C26H20F2N8O/c27-26(28)3-5-36(14-26)12-15-7-17(10-29-9-15)18-8-20-22(34-35-23(20)31-11-18)25-32-21-19(16-2-6-37-13-16)1-4-30-24(21)33-25/h1-2,4,6-11,13H,3,5,12,14H2,(H,30,32,33)(H,31,34,35)
• InChIKey: PUOVOJFFUOJWID-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 112.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.50
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of PUOVOJFFUOJWID-UHFFFAOYSA-N?

The IUPAC name of PUOVOJFFUOJWID-UHFFFAOYSA-N (CID 137056184) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for PUOVOJFFUOJWID-UHFFFAOYSA-N?

The canonical SMILES for PUOVOJFFUOJWID-UHFFFAOYSA-N is FC1(F)CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6nccc(-c7ccoc7)c6[nH]5)c4c3)c2)C1.

What is the InChIKey of PUOVOJFFUOJWID-UHFFFAOYSA-N?

The InChIKey is PUOVOJFFUOJWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N8O/c27-26(28)3-5-36(14-26)12-15-7-17(10-29-9-15)18-8-20-22(34-35-23(20)31-11-18)25-32-21-19(16-2-6-37-13-16)1-4-30-24(21)33-25/h1-2,4,6-11,13H,3,5,12,14H2,(H,30,32,33)(H,31,34,35).

What are the key properties of PUOVOJFFUOJWID-UHFFFAOYSA-N?

PUOVOJFFUOJWID-UHFFFAOYSA-N has a molecular weight of 498.50 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for PUOVOJFFUOJWID-UHFFFAOYSA-N is sourced from PubChem (CID 137056184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 137056184 — identifiers, structure, computed properties (public domain)

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