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(6R)-2-ethoxy-6-[4-[5-fluoro-2-(5-methylpyrazin-2-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane

C23H31FN6O — CID 171092600

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(6R)-2-ethoxy-6-[4-[5-fluoro-2-(5-methylpyrazin-2-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane
SMILESCCON1CC2(CC[C@@H](N3CCN(c4cc(F)cnc4-c4cnc(C)cn4)CC3)C2)C1
InChIInChI=1S/C23H31FN6O/c1-3-31-30-15-23(16-30)5-4-19(11-23)28-6-8-29(9-7-28)21-10-18(24)13-27-22(21)20-14-25-17(2)12-26-20/h10,12-14,19H,3-9,11,15-16H2,1-2H3/t19-/m1/s1
InChIKeyVVKWZFUQFFXPPM-LJQANCHMSA-N
MW426.54 g/mol
LogP2.91
Rot. Bonds5

About (6R)-2-ethoxy-6-[4-[5-fluoro-2-(5-methylpyrazin-2-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane

(6R)-2-ethoxy-6-[4-[5-fluoro-2-(5-methylpyrazin-2-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane (PubChem CID 171092600) has the molecular formula C23H31FN6O and a molecular weight of 426.54 g/mol. Its IUPAC name is (6R)-2-ethoxy-6-[4-[5-fluoro-2-(5-methylpyrazin-2-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(6R)-2-ethoxy-6-[4-[5-fluoro-2-(5-methylpyrazin-2-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane
PubChem CID171092600
Molecular FormulaC23H31FN6O
Molecular Weight426.54 g/mol
Exact Mass426.25
IUPAC Name(6R)-2-ethoxy-6-[4-[5-fluoro-2-(5-methylpyrazin-2-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane
SMILESCCON1CC2(CC[C@@H](N3CCN(c4cc(F)cnc4-c4cnc(C)cn4)CC3)C2)C1
InChIInChI=1S/C23H31FN6O/c1-3-31-30-15-23(16-30)5-4-19(11-23)28-6-8-29(9-7-28)21-10-18(24)13-27-22(21)20-14-25-17(2)12-26-20/h10,12-14,19H,3-9,11,15-16H2,1-2H3/t19-/m1/s1
InChIKeyVVKWZFUQFFXPPM-LJQANCHMSA-N
XLogP2.91
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-ethoxy-6-[4-[5-fluoro-2-(5-methylpyrazin-2-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane?
The IUPAC name of (6R)-2-ethoxy-6-[4-[5-fluoro-2-(5-methylpyrazin-2-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane (CID 171092600) is (6R)-2-ethoxy-6-[4-[5-fluoro-2-(5-methylpyrazin-2-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane.
What is the SMILES notation for (6R)-2-ethoxy-6-[4-[5-fluoro-2-(5-methylpyrazin-2-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane?
The canonical SMILES for (6R)-2-ethoxy-6-[4-[5-fluoro-2-(5-methylpyrazin-2-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane is CCON1CC2(CC[C@@H](N3CCN(c4cc(F)cnc4-c4cnc(C)cn4)CC3)C2)C1.
What is the InChIKey of (6R)-2-ethoxy-6-[4-[5-fluoro-2-(5-methylpyrazin-2-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane?
The InChIKey is VVKWZFUQFFXPPM-LJQANCHMSA-N. The full InChI is InChI=1S/C23H31FN6O/c1-3-31-30-15-23(16-30)5-4-19(11-23)28-6-8-29(9-7-28)21-10-18(24)13-27-22(21)20-14-25-17(2)12-26-20/h10,12-14,19H,3-9,11,15-16H2,1-2H3/t19-/m1/s1.
What are the key properties of (6R)-2-ethoxy-6-[4-[5-fluoro-2-(5-methylpyrazin-2-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane?
(6R)-2-ethoxy-6-[4-[5-fluoro-2-(5-methylpyrazin-2-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane has a molecular weight of 426.54 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-ethoxy-6-[4-[5-fluoro-2-(5-methylpyrazin-2-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane is sourced from PubChem (CID 171092600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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