ethyl (6R)-6-[4-[5-fluoro-3-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate

C25H30F2N4O3 — CID 171850177

IUPACethyl (6R)-6-[4-[5-fluoro-3-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
SMILESCCOC(=O)N1CC2(CC[C@@H](N3CCN(c4ncc(F)cc4-c4cccc(F)c4O)CC3)C2)C1
InChIInChI=1S/C25H30F2N4O3/c1-2-34-24(33)31-15-25(16-31)7-6-18(13-25)29-8-10-30(11-9-29)23-20(12-17(26)14-28-23)19-4-3-5-21(27)22(19)32/h3-5,12,14,18,32H,2,6-11,13,15-16H2,1H3/t18-/m1/s1
InChIKeyMLYOVNWJRHVWFK-GOSISDBHSA-N
MW472.54 g/mol
LogP3.87
Rot. Bonds4

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

ethyl (6R)-6-[4-[5-fluoro-3-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate (PubChem CID 171850177) has the molecular formula C25H30F2N4O3 and a molecular weight of 472.54 g/mol. Its IUPAC name is ethyl (6R)-6-[4-[5-fluoro-3-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound Nameethyl (6R)-6-[4-[5-fluoro-3-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
PubChem CID171850177
Molecular FormulaC25H30F2N4O3
Molecular Weight472.54 g/mol
Exact Mass472.23
IUPAC Nameethyl (6R)-6-[4-[5-fluoro-3-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
SMILESCCOC(=O)N1CC2(CC[C@@H](N3CCN(c4ncc(F)cc4-c4cccc(F)c4O)CC3)C2)C1
InChIInChI=1S/C25H30F2N4O3/c1-2-34-24(33)31-15-25(16-31)7-6-18(13-25)29-8-10-30(11-9-29)23-20(12-17(26)14-28-23)19-4-3-5-21(27)22(19)32/h3-5,12,14,18,32H,2,6-11,13,15-16H2,1H3/t18-/m1/s1
InChIKeyMLYOVNWJRHVWFK-GOSISDBHSA-N
XLogP3.87
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl (6R)-6-[4-[5-fluoro-3-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
ethyl (6R)-6-[4-[5-fluoro-3-(1H-indazol-7-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 175629467
ethyl (6R)-6-[4-[5-fluoro-3-(1H-indazol-4-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849996
ethyl 6-[4-[5-fluoro-3-(6-methoxy-2-methyl-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 175631729
ethyl (6R)-6-[4-[3-(6-cyano-3-pyridinyl)-5-fluoro-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849628
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 6-[4-[3-(3-fluoro-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849674
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
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-[5-fluoro-3-(6-methoxy-5-methyl-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 175627675
ethyl (6R)-6-[4-[5-fluoro-3-[1-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171850176
ethyl (6R)-6-[4-[5-fluoro-3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849603

Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-6-[4-[5-fluoro-3-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?
The IUPAC name of ethyl (6R)-6-[4-[5-fluoro-3-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate (CID 171850177) is ethyl (6R)-6-[4-[5-fluoro-3-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for ethyl (6R)-6-[4-[5-fluoro-3-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for ethyl (6R)-6-[4-[5-fluoro-3-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate is CCOC(=O)N1CC2(CC[C@@H](N3CCN(c4ncc(F)cc4-c4cccc(F)c4O)CC3)C2)C1.
What is the InChIKey of ethyl (6R)-6-[4-[5-fluoro-3-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?
The InChIKey is MLYOVNWJRHVWFK-GOSISDBHSA-N. The full InChI is InChI=1S/C25H30F2N4O3/c1-2-34-24(33)31-15-25(16-31)7-6-18(13-25)29-8-10-30(11-9-29)23-20(12-17(26)14-28-23)19-4-3-5-21(27)22(19)32/h3-5,12,14,18,32H,2,6-11,13,15-16H2,1H3/t18-/m1/s1.
What are the key properties of ethyl (6R)-6-[4-[5-fluoro-3-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?
ethyl (6R)-6-[4-[5-fluoro-3-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate has a molecular weight of 472.54 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6R)-6-[4-[5-fluoro-3-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 171850177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).