2-[(9R)-9-[4-(3-chlorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;3-(1,1-difluoroethyl)-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine;2-[(9R)-9-[4-(3-fluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;methane;2-[(9R)-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[4-(3-methylphenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine

C122H160ClF3N6O6S — CID 161027621

IUPAC2-[(9R)-9-[4-(3-chlorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;3-(1,1-difluoroethyl)-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine;2-[(9R)-9-[4-(3-fluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;methane;2-[(9R)-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[4-(3-methylphenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
SMILESC.CC(F)(F)c1cncc(CCCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)c1.COc1ccsc1CCCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1.Cc1cccc(CCCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)c1.Clc1cccc(CCCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)c1.Fc1cccc(CCCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)c1
InChIInChI=1S/C25H32F2N2O.C25H33NO.C24H30ClNO.C24H30FNO.C23H31NO2S.CH4/c1-23(26,27)21-16-20(17-28-18-21)8-2-4-10-24(22-9-3-7-14-29-22)13-15-30-25(19-24)11-5-6-12-25;1-21-9-8-11-22(19-21)10-2-4-13-24(23-12-3-7-17-26-23)16-18-27-25(20-24)14-5-6-15-25;2*25-21-10-7-9-20(18-21)8-1-3-12-23(22-11-2-6-16-26-22)15-17-27-24(19-23)13-4-5-14-24;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;/h3,7,9,14,16-18H,2,4-6,8,10-13,15,19H2,1H3;3,7-9,11-12,17,19H,2,4-6,10,13-16,18,20H2,1H3;2*2,6-7,9-11,16,18H,1,3-5,8,12-15,17,19H2;3,7,9-10,15,17H,2,4-6,8,11-14,16,18H2,1H3;1H4/t2*24-;2*23-;22-;/m11111./s1
InChIKeyTZEUUVDRVZTGNG-CYINNORJSA-N
MW1931.17 g/mol
LogP31.59
Rot. Bonds32

About 2-[(9R)-9-[4-(3-chlorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;3-(1,1-difluoroethyl)-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine;2-[(9R)-9-[4-(3-fluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;methane;2-[(9R)-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[4-(3-methylphenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine

2-[(9R)-9-[4-(3-chlorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;3-(1,1-difluoroethyl)-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine;2-[(9R)-9-[4-(3-fluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;methane;2-[(9R)-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[4-(3-methylphenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine (PubChem CID 161027621) has the molecular formula C122H160ClF3N6O6S and a molecular weight of 1931.17 g/mol. Its IUPAC name is 2-[(9R)-9-[4-(3-chlorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;3-(1,1-difluoroethyl)-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine;2-[(9R)-9-[4-(3-fluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;methane;2-[(9R)-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[4-(3-methylphenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine.

Molecular Properties

Compound Name2-[(9R)-9-[4-(3-chlorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;3-(1,1-difluoroethyl)-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine;2-[(9R)-9-[4-(3-fluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;methane;2-[(9R)-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[4-(3-methylphenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
PubChem CID161027621
Molecular FormulaC122H160ClF3N6O6S
Molecular Weight1931.17 g/mol
Exact Mass1929.18
IUPAC Name2-[(9R)-9-[4-(3-chlorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;3-(1,1-difluoroethyl)-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine;2-[(9R)-9-[4-(3-fluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;methane;2-[(9R)-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[4-(3-methylphenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
SMILESC.CC(F)(F)c1cncc(CCCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)c1.COc1ccsc1CCCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1.Cc1cccc(CCCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)c1.Clc1cccc(CCCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)c1.Fc1cccc(CCCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)c1
InChIInChI=1S/C25H32F2N2O.C25H33NO.C24H30ClNO.C24H30FNO.C23H31NO2S.CH4/c1-23(26,27)21-16-20(17-28-18-21)8-2-4-10-24(22-9-3-7-14-29-22)13-15-30-25(19-24)11-5-6-12-25;1-21-9-8-11-22(19-21)10-2-4-13-24(23-12-3-7-17-26-23)16-18-27-25(20-24)14-5-6-15-25;2*25-21-10-7-9-20(18-21)8-1-3-12-23(22-11-2-6-16-26-22)15-17-27-24(19-23)13-4-5-14-24;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;/h3,7,9,14,16-18H,2,4-6,8,10-13,15,19H2,1H3;3,7-9,11-12,17,19H,2,4-6,10,13-16,18,20H2,1H3;2*2,6-7,9-11,16,18H,1,3-5,8,12-15,17,19H2;3,7,9-10,15,17H,2,4-6,8,11-14,16,18H2,1H3;1H4/t2*24-;2*23-;22-;/m11111./s1
InChIKeyTZEUUVDRVZTGNG-CYINNORJSA-N
XLogP31.59
TPSA132.72 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds32
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001931.17
LogP ≤ 531.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(9R)-9-[4-(3-chlorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;3-(1,1-difluoroethyl)-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine;2-[(9R)-9-[4-(3-fluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;methane;2-[(9R)-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[4-(3-methylphenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(9R)-9-[4-(3-chlorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;3-(1,1-difluoroethyl)-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine;2-[(9R)-9-[4-(3-fluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;methane;2-[(9R)-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[4-(3-methylphenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The IUPAC name of 2-[(9R)-9-[4-(3-chlorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;3-(1,1-difluoroethyl)-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine;2-[(9R)-9-[4-(3-fluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;methane;2-[(9R)-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[4-(3-methylphenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine (CID 161027621) is 2-[(9R)-9-[4-(3-chlorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;3-(1,1-difluoroethyl)-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine;2-[(9R)-9-[4-(3-fluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;methane;2-[(9R)-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[4-(3-methylphenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine.
What is the SMILES notation for 2-[(9R)-9-[4-(3-chlorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;3-(1,1-difluoroethyl)-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine;2-[(9R)-9-[4-(3-fluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;methane;2-[(9R)-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[4-(3-methylphenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The canonical SMILES for 2-[(9R)-9-[4-(3-chlorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;3-(1,1-difluoroethyl)-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine;2-[(9R)-9-[4-(3-fluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;methane;2-[(9R)-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[4-(3-methylphenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine is C.CC(F)(F)c1cncc(CCCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)c1.COc1ccsc1CCCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1.Cc1cccc(CCCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)c1.Clc1cccc(CCCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)c1.Fc1cccc(CCCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)c1.
What is the InChIKey of 2-[(9R)-9-[4-(3-chlorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;3-(1,1-difluoroethyl)-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine;2-[(9R)-9-[4-(3-fluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;methane;2-[(9R)-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[4-(3-methylphenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The InChIKey is TZEUUVDRVZTGNG-CYINNORJSA-N. The full InChI is InChI=1S/C25H32F2N2O.C25H33NO.C24H30ClNO.C24H30FNO.C23H31NO2S.CH4/c1-23(26,27)21-16-20(17-28-18-21)8-2-4-10-24(22-9-3-7-14-29-22)13-15-30-25(19-24)11-5-6-12-25;1-21-9-8-11-22(19-21)10-2-4-13-24(23-12-3-7-17-26-23)16-18-27-25(20-24)14-5-6-15-25;2*25-21-10-7-9-20(18-21)8-1-3-12-23(22-11-2-6-16-26-22)15-17-27-24(19-23)13-4-5-14-24;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;/h3,7,9,14,16-18H,2,4-6,8,10-13,15,19H2,1H3;3,7-9,11-12,17,19H,2,4-6,10,13-16,18,20H2,1H3;2*2,6-7,9-11,16,18H,1,3-5,8,12-15,17,19H2;3,7,9-10,15,17H,2,4-6,8,11-14,16,18H2,1H3;1H4/t2*24-;2*23-;22-;/m11111./s1.
What are the key properties of 2-[(9R)-9-[4-(3-chlorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;3-(1,1-difluoroethyl)-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine;2-[(9R)-9-[4-(3-fluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;methane;2-[(9R)-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[4-(3-methylphenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
2-[(9R)-9-[4-(3-chlorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;3-(1,1-difluoroethyl)-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine;2-[(9R)-9-[4-(3-fluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;methane;2-[(9R)-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[4-(3-methylphenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine has a molecular weight of 1931.17 g/mol, XLogP of 31.59, 32 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9R)-9-[4-(3-chlorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;3-(1,1-difluoroethyl)-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine;2-[(9R)-9-[4-(3-fluorophenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;methane;2-[(9R)-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-9-[4-(3-methylphenyl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine is sourced from PubChem (CID 161027621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).