bis(2-[(9R)-3,3-dideuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-9-[4,4-dideuterio-4-(3-methoxythiophen-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-[1,1,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine

C115H155N5O10S5 — CID 159649490

IUPACbis(2-[(9R)-3,3-dideuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-9-[4,4-dideuterio-4-(3-methoxythiophen-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-[1,1,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
SMILES[2H]C([2H])(CCC([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])c1sccc1OC.[2H]C([2H])(CCC[C@@]1(c2ccccn2)CCOC2(CC([2H])([2H])C([2H])([2H])C2)C1)c1sccc1OC.[2H]C([2H])(CCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1)c1sccc1OC.[2H]C1([2H])CCC2(C1)C[C@](CCCC([2H])([2H])c1sccc1OC)(c1ccccn1)CCO2.[2H]C1([2H])CCC2(C1)C[C@](CCCC([2H])([2H])c1sccc1OC)(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/i5D2,6D2,8D2,11D2,12D2,13D2,14D2,16D2,18D2;5D2,6D2,8D2;2*5D2,8D2;8D2/t2m;2*22-,23?;m
InChIKeyMRJNRNMADKHYFH-GYJIROBKSA-N
MW1962.07 g/mol
LogP29.63
Rot. Bonds35

About bis(2-[(9R)-3,3-dideuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-9-[4,4-dideuterio-4-(3-methoxythiophen-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-[1,1,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine

bis(2-[(9R)-3,3-dideuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-9-[4,4-dideuterio-4-(3-methoxythiophen-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-[1,1,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine (PubChem CID 159649490) has the molecular formula C115H155N5O10S5 and a molecular weight of 1962.07 g/mol. Its IUPAC name is bis(2-[(9R)-3,3-dideuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-9-[4,4-dideuterio-4-(3-methoxythiophen-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-[1,1,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine.

Molecular Properties

Compound Namebis(2-[(9R)-3,3-dideuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-9-[4,4-dideuterio-4-(3-methoxythiophen-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-[1,1,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
PubChem CID159649490
Molecular FormulaC115H155N5O10S5
Molecular Weight1962.07 g/mol
Exact Mass1960.25
IUPAC Namebis(2-[(9R)-3,3-dideuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-9-[4,4-dideuterio-4-(3-methoxythiophen-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-[1,1,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
SMILES[2H]C([2H])(CCC([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])c1sccc1OC.[2H]C([2H])(CCC[C@@]1(c2ccccn2)CCOC2(CC([2H])([2H])C([2H])([2H])C2)C1)c1sccc1OC.[2H]C([2H])(CCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1)c1sccc1OC.[2H]C1([2H])CCC2(C1)C[C@](CCCC([2H])([2H])c1sccc1OC)(c1ccccn1)CCO2.[2H]C1([2H])CCC2(C1)C[C@](CCCC([2H])([2H])c1sccc1OC)(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/i5D2,6D2,8D2,11D2,12D2,13D2,14D2,16D2,18D2;5D2,6D2,8D2;2*5D2,8D2;8D2/t2m;2*22-,23?;m
InChIKeyMRJNRNMADKHYFH-GYJIROBKSA-N
XLogP29.63
TPSA156.75 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds35
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001962.07
LogP ≤ 529.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze bis(2-[(9R)-3,3-dideuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-9-[4,4-dideuterio-4-(3-methoxythiophen-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-[1,1,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-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-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-9-[4,4-dideuterio-4-(3-methoxythiophen-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-[1,1,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The IUPAC name of bis(2-[(9R)-3,3-dideuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-9-[4,4-dideuterio-4-(3-methoxythiophen-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-[1,1,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine (CID 159649490) is bis(2-[(9R)-3,3-dideuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-9-[4,4-dideuterio-4-(3-methoxythiophen-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-[1,1,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine.
What is the SMILES notation for bis(2-[(9R)-3,3-dideuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-9-[4,4-dideuterio-4-(3-methoxythiophen-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-[1,1,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The canonical SMILES for bis(2-[(9R)-3,3-dideuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-9-[4,4-dideuterio-4-(3-methoxythiophen-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-[1,1,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine is [2H]C([2H])(CCC([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])c1sccc1OC.[2H]C([2H])(CCC[C@@]1(c2ccccn2)CCOC2(CC([2H])([2H])C([2H])([2H])C2)C1)c1sccc1OC.[2H]C([2H])(CCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1)c1sccc1OC.[2H]C1([2H])CCC2(C1)C[C@](CCCC([2H])([2H])c1sccc1OC)(c1ccccn1)CCO2.[2H]C1([2H])CCC2(C1)C[C@](CCCC([2H])([2H])c1sccc1OC)(c1ccccn1)CCO2.
What is the InChIKey of bis(2-[(9R)-3,3-dideuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-9-[4,4-dideuterio-4-(3-methoxythiophen-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-[1,1,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The InChIKey is MRJNRNMADKHYFH-GYJIROBKSA-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/i5D2,6D2,8D2,11D2,12D2,13D2,14D2,16D2,18D2;5D2,6D2,8D2;2*5D2,8D2;8D2/t2m;2*22-,23?;m.
What are the key properties of bis(2-[(9R)-3,3-dideuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-9-[4,4-dideuterio-4-(3-methoxythiophen-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-[1,1,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
bis(2-[(9R)-3,3-dideuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-9-[4,4-dideuterio-4-(3-methoxythiophen-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-[1,1,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine has a molecular weight of 1962.07 g/mol, XLogP of 29.63, 35 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-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine);2-[(9R)-9-[4,4-dideuterio-4-(3-methoxythiophen-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-[1,1,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4,4-dideuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine is sourced from PubChem (CID 159649490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).