5-fluoro-2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrazolo[5,4-c]pyridin-1-yl]benzoic acid

C23H25FN4O4 — CID 134347781

About 5-fluoro-2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrazolo[5,4-c]pyridin-1-yl]benzoic acid

5-fluoro-2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrazolo[5,4-c]pyridin-1-yl]benzoic acid (PubChem CID 134347781) has the molecular formula C23H25FN4O4 and a molecular weight of 440.48 g/mol. Its IUPAC name is 5-fluoro-2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrazolo[5,4-c]pyridin-1-yl]benzoic acid.

Molecular Properties

• Compound Name: 5-fluoro-2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrazolo[5,4-c]pyridin-1-yl]benzoic acid
• PubChem CID: 134347781
• Molecular Formula: C23H25FN4O4
• Molecular Weight: 440.48 g/mol
• Exact Mass: 440.19
• IUPAC Name: 5-fluoro-2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrazolo[5,4-c]pyridin-1-yl]benzoic acid
• SMILES: CC(C)(C)OC(=O)N1CCCC(c2nn(-c3ccc(F)cc3C(=O)O)c3cnccc23)C1
• InChI: InChI=1S/C23H25FN4O4/c1-23(2,3)32-22(31)27-10-4-5-14(13-27)20-16-8-9-25-12-19(16)28(26-20)18-7-6-15(24)11-17(18)21(29)30/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,29,30)
• InChIKey: XHMLOLNDAPJVOV-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 97.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.48
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrazolo[5,4-c]pyridin-1-yl]benzoic acid?

The IUPAC name of 5-fluoro-2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrazolo[5,4-c]pyridin-1-yl]benzoic acid (CID 134347781) is 5-fluoro-2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrazolo[5,4-c]pyridin-1-yl]benzoic acid.

What is the SMILES notation for 5-fluoro-2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrazolo[5,4-c]pyridin-1-yl]benzoic acid?

The canonical SMILES for 5-fluoro-2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrazolo[5,4-c]pyridin-1-yl]benzoic acid is CC(C)(C)OC(=O)N1CCCC(c2nn(-c3ccc(F)cc3C(=O)O)c3cnccc23)C1.

What is the InChIKey of 5-fluoro-2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrazolo[5,4-c]pyridin-1-yl]benzoic acid?

The InChIKey is XHMLOLNDAPJVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4/c1-23(2,3)32-22(31)27-10-4-5-14(13-27)20-16-8-9-25-12-19(16)28(26-20)18-7-6-15(24)11-17(18)21(29)30/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,29,30).

What are the key properties of 5-fluoro-2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrazolo[5,4-c]pyridin-1-yl]benzoic acid?

5-fluoro-2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrazolo[5,4-c]pyridin-1-yl]benzoic acid has a molecular weight of 440.48 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrazolo[5,4-c]pyridin-1-yl]benzoic acid is sourced from PubChem (CID 134347781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).