(5-fluoro-3-pyridinyl)-[(6R)-6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octan-2-yl]methanone

C26H28FN7O — CID 171849995

About (5-fluoro-3-pyridinyl)-[(6R)-6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octan-2-yl]methanone

(5-fluoro-3-pyridinyl)-[(6R)-6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 171849995) has the molecular formula C26H28FN7O and a molecular weight of 473.56 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-[(6R)-6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

• Compound Name: (5-fluoro-3-pyridinyl)-[(6R)-6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octan-2-yl]methanone
• PubChem CID: 171849995
• Molecular Formula: C26H28FN7O
• Molecular Weight: 473.56 g/mol
• Exact Mass: 473.23
• IUPAC Name: (5-fluoro-3-pyridinyl)-[(6R)-6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octan-2-yl]methanone
• SMILES: O=C(c1cncc(F)c1)N1CC2(CC[C@@H](N3CCN(c4ncccc4-c4cnccn4)CC3)C2)C1
• InChI: InChI=1S/C26H28FN7O/c27-20-12-19(14-29-15-20)25(35)34-17-26(18-34)4-3-21(13-26)32-8-10-33(11-9-32)24-22(2-1-5-31-24)23-16-28-6-7-30-23/h1-2,5-7,12,14-16,21H,3-4,8-11,13,17-18H2/t21-/m1/s1
• InChIKey: BWGYUMMULDWXOE-OAQYLSRUSA-N
• XLogP: 2.89
• TPSA: 78.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.56
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-[(6R)-6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octan-2-yl]methanone?

The IUPAC name of (5-fluoro-3-pyridinyl)-[(6R)-6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octan-2-yl]methanone (CID 171849995) is (5-fluoro-3-pyridinyl)-[(6R)-6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octan-2-yl]methanone.

What is the SMILES notation for (5-fluoro-3-pyridinyl)-[(6R)-6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octan-2-yl]methanone?

The canonical SMILES for (5-fluoro-3-pyridinyl)-[(6R)-6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octan-2-yl]methanone is O=C(c1cncc(F)c1)N1CC2(CC[C@@H](N3CCN(c4ncccc4-c4cnccn4)CC3)C2)C1.

What is the InChIKey of (5-fluoro-3-pyridinyl)-[(6R)-6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octan-2-yl]methanone?

The InChIKey is BWGYUMMULDWXOE-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H28FN7O/c27-20-12-19(14-29-15-20)25(35)34-17-26(18-34)4-3-21(13-26)32-8-10-33(11-9-32)24-22(2-1-5-31-24)23-16-28-6-7-30-23/h1-2,5-7,12,14-16,21H,3-4,8-11,13,17-18H2/t21-/m1/s1.

What are the key properties of (5-fluoro-3-pyridinyl)-[(6R)-6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octan-2-yl]methanone?

(5-fluoro-3-pyridinyl)-[(6R)-6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 473.56 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5-fluoro-3-pyridinyl)-[(6R)-6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 171849995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).