(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

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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Launch Full Analysis

Related Compounds

6-[4-[5-fluoro-2-(4-methylpyrimidin-5-yl)-3-pyridinyl]piperazin-1-yl]-2-methyl-2-azaspiro[3.4]octane
CID 171092466
ethyl (6R)-6-[4-[5-fluoro-2-(3-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171092618
ethyl 6-[4-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171092730
ethyl (6R)-6-[4-(5-fluoro-2-pyrazin-2-yl-3-pyridinyl)-4-hydroxypiperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171092568
ethyl (6R)-6-[4-[3-(2,5-dimethylpyrazol-3-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849483
(Z)-1-[5-fluoro-3-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-2-pyridinyl]-3-methyliminoprop-1-en-1-amine
CID 171092729
5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]pyridine-3-carbaldehyde
CID 171849786
3-[5-fluoro-3-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-2-pyridinyl]-2-methanimidoyl-N-methylaniline
CID 171092715
ethyl (6R)-6-[4-(5-fluoro-3-pyrimidin-4-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849971
ethyl (6R)-6-[4-[5-fluoro-3-[5-(hydroxymethyl)thiophen-3-yl]-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849436
ethyl (6R)-6-[4-[3-[3-(ethylamino)-3-oxopropyl]-5-fluoro-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 175630850
ethyl (6R)-6-[4-[5-fluoro-3-(2-fluoro-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849711

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).