bis(2-[(9R)-3,3-dideuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-1,1,2,2,3,3,4,4,7,7,8,8,10,10-tetradecadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine

C115H155N5O10S5 — CID 159649506

IUPACbis(2-[(9R)-3,3-dideuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-1,1,2,2,3,3,4,4,7,7,8,8,10,10-tetradecadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
SMILES[2H]C([2H])(CC([2H])([2H])c1sccc1OC([2H])([2H])[2H])C[C@@]1(c2ccccn2)CCOC2(CC([2H])([2H])C([2H])([2H])C2)C1.[2H]C([2H])(CC([2H])([2H])c1sccc1OC([2H])([2H])[2H])C[C@@]1(c2ccccn2)CCOC2(CCCC2)C1.[2H]C([2H])([2H])Oc1ccsc1C([2H])([2H])CC([2H])([2H])C([2H])([2H])[C@@]1(c2ccccn2)C([2H])([2H])C([2H])([2H])OC2(C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])C1([2H])[2H].[2H]C1([2H])CCC2(C1)C[C@](CC([2H])([2H])CC([2H])([2H])c1sccc1OC([2H])([2H])[2H])(c1ccccn1)CCO2.[2H]C1([2H])CCC2(C1)C[C@](CC([2H])([2H])CC([2H])([2H])c1sccc1OC([2H])([2H])[2H])(c1ccccn1)CCO2
InChIInChI=1S/5C23H31NO2S/c5*1-25-19-10-17-27-20(19)8-2-4-11-22(21-9-3-7-15-24-21)14-16-26-23(18-22)12-5-6-13-23/h5*3,7,9-10,15,17H,2,4-6,8,11-14,16,18H2,1H3/t5*22-/m11111/s1/i1D3,4D2,5D2,6D2,8D2,11D2,12D2,13D2,14D2,16D2,18D2;1D3,4D2,5D2,6D2,8D2;2*1D3,4D2,5D2,8D2;1D3,4D2,8D2/t2m;2*22-,23?;m
InChIKeyMRJNRNMADKHYFH-PSGXXZGGSA-N
MW1987.23 g/mol
LogP29.63
Rot. Bonds40

About bis(2-[(9R)-3,3-dideuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-1,1,2,2,3,3,4,4,7,7,8,8,10,10-tetradecadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine

bis(2-[(9R)-3,3-dideuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-1,1,2,2,3,3,4,4,7,7,8,8,10,10-tetradecadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine (PubChem CID 159649506) has the molecular formula C115H155N5O10S5 and a molecular weight of 1987.23 g/mol. Its IUPAC name is bis(2-[(9R)-3,3-dideuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-1,1,2,2,3,3,4,4,7,7,8,8,10,10-tetradecadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine.

Molecular Properties

Compound Namebis(2-[(9R)-3,3-dideuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-1,1,2,2,3,3,4,4,7,7,8,8,10,10-tetradecadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
PubChem CID159649506
Molecular FormulaC115H155N5O10S5
Molecular Weight1987.23 g/mol
Exact Mass1985.41
IUPAC Namebis(2-[(9R)-3,3-dideuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-1,1,2,2,3,3,4,4,7,7,8,8,10,10-tetradecadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
SMILES[2H]C([2H])(CC([2H])([2H])c1sccc1OC([2H])([2H])[2H])C[C@@]1(c2ccccn2)CCOC2(CC([2H])([2H])C([2H])([2H])C2)C1.[2H]C([2H])(CC([2H])([2H])c1sccc1OC([2H])([2H])[2H])C[C@@]1(c2ccccn2)CCOC2(CCCC2)C1.[2H]C([2H])([2H])Oc1ccsc1C([2H])([2H])CC([2H])([2H])C([2H])([2H])[C@@]1(c2ccccn2)C([2H])([2H])C([2H])([2H])OC2(C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])C1([2H])[2H].[2H]C1([2H])CCC2(C1)C[C@](CC([2H])([2H])CC([2H])([2H])c1sccc1OC([2H])([2H])[2H])(c1ccccn1)CCO2.[2H]C1([2H])CCC2(C1)C[C@](CC([2H])([2H])CC([2H])([2H])c1sccc1OC([2H])([2H])[2H])(c1ccccn1)CCO2
InChIInChI=1S/5C23H31NO2S/c5*1-25-19-10-17-27-20(19)8-2-4-11-22(21-9-3-7-15-24-21)14-16-26-23(18-22)12-5-6-13-23/h5*3,7,9-10,15,17H,2,4-6,8,11-14,16,18H2,1H3/t5*22-/m11111/s1/i1D3,4D2,5D2,6D2,8D2,11D2,12D2,13D2,14D2,16D2,18D2;1D3,4D2,5D2,6D2,8D2;2*1D3,4D2,5D2,8D2;1D3,4D2,8D2/t2m;2*22-,23?;m
InChIKeyMRJNRNMADKHYFH-PSGXXZGGSA-N
XLogP29.63
TPSA156.75 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds40
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001987.23
LogP ≤ 529.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze bis(2-[(9R)-3,3-dideuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-1,1,2,2,3,3,4,4,7,7,8,8,10,10-tetradecadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2-[(9R)-3,3-dideuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-1,1,2,2,3,3,4,4,7,7,8,8,10,10-tetradecadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The IUPAC name of bis(2-[(9R)-3,3-dideuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-1,1,2,2,3,3,4,4,7,7,8,8,10,10-tetradecadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine (CID 159649506) is bis(2-[(9R)-3,3-dideuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-1,1,2,2,3,3,4,4,7,7,8,8,10,10-tetradecadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine.
What is the SMILES notation for bis(2-[(9R)-3,3-dideuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-1,1,2,2,3,3,4,4,7,7,8,8,10,10-tetradecadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The canonical SMILES for bis(2-[(9R)-3,3-dideuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-1,1,2,2,3,3,4,4,7,7,8,8,10,10-tetradecadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine is [2H]C([2H])(CC([2H])([2H])c1sccc1OC([2H])([2H])[2H])C[C@@]1(c2ccccn2)CCOC2(CC([2H])([2H])C([2H])([2H])C2)C1.[2H]C([2H])(CC([2H])([2H])c1sccc1OC([2H])([2H])[2H])C[C@@]1(c2ccccn2)CCOC2(CCCC2)C1.[2H]C([2H])([2H])Oc1ccsc1C([2H])([2H])CC([2H])([2H])C([2H])([2H])[C@@]1(c2ccccn2)C([2H])([2H])C([2H])([2H])OC2(C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])C1([2H])[2H].[2H]C1([2H])CCC2(C1)C[C@](CC([2H])([2H])CC([2H])([2H])c1sccc1OC([2H])([2H])[2H])(c1ccccn1)CCO2.[2H]C1([2H])CCC2(C1)C[C@](CC([2H])([2H])CC([2H])([2H])c1sccc1OC([2H])([2H])[2H])(c1ccccn1)CCO2.
What is the InChIKey of bis(2-[(9R)-3,3-dideuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-1,1,2,2,3,3,4,4,7,7,8,8,10,10-tetradecadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The InChIKey is MRJNRNMADKHYFH-PSGXXZGGSA-N. The full InChI is InChI=1S/5C23H31NO2S/c5*1-25-19-10-17-27-20(19)8-2-4-11-22(21-9-3-7-15-24-21)14-16-26-23(18-22)12-5-6-13-23/h5*3,7,9-10,15,17H,2,4-6,8,11-14,16,18H2,1H3/t5*22-/m11111/s1/i1D3,4D2,5D2,6D2,8D2,11D2,12D2,13D2,14D2,16D2,18D2;1D3,4D2,5D2,6D2,8D2;2*1D3,4D2,5D2,8D2;1D3,4D2,8D2/t2m;2*22-,23?;m.
What are the key properties of bis(2-[(9R)-3,3-dideuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-1,1,2,2,3,3,4,4,7,7,8,8,10,10-tetradecadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
bis(2-[(9R)-3,3-dideuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-1,1,2,2,3,3,4,4,7,7,8,8,10,10-tetradecadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine has a molecular weight of 1987.23 g/mol, XLogP of 29.63, 40 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[(9R)-3,3-dideuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-1,1,2,2,3,3,4,4,7,7,8,8,10,10-tetradecadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[2,2,4,4-tetradeuterio-4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine is sourced from PubChem (CID 159649506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).