2-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide;2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;1-[3-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]phenyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine;[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]-[3-[7-[(2-methylpropan-2-yl)oxy]heptyl]-1-bicyclo[1.1.1]pentanyl]methanone;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxymethyl]bicyclo[1.1.1]pentane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]bicyclo[1.1.1]pentane

C174H287F2N7O25 — CID 162157646

IUPAC2-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide;2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;1-[3-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]phenyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine;[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]-[3-[7-[(2-methylpropan-2-yl)oxy]heptyl]-1-bicyclo[1.1.1]pentanyl]methanone;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxymethyl]bicyclo[1.1.1]pentane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]bicyclo[1.1.1]pentane
SMILESCC(C)(C)OC1CC(OC2CCN(c3cccc(C#CC(C)(C)OC(C)(C)C)c3)CC2)C1.CC(C)(C)OC1CC(OC2CCN(c3ccnc(C#CC(C)(C)OC(C)(C)C)c3)CC2)C1.CC(C)(C)OC1CC(OC2CCN(c3ccnc(C#CC(F)(F)OC(C)(C)C)c3)CC2)C1.CC(C)(C)OCCCCCCCC12CC(C(=O)N3CC(OC(C)(C)C)C3)(C1)C2.CC(C)(C)OCCOCC#CC12CC(COC3CC(OC(C)(C)C)C3)(C1)C2.CC(C)(C)OCCOCCOCC12CC(COC3CC(OC(C)(C)C)C3)(C1)C2.CN(C(=O)C12CC(COCCCCOC(C)(C)C)(C1)C2)C1CC(OC(C)(C)C)C1
InChIInChI=1S/C28H43NO3.C27H42N2O3.C25H36F2N2O3.C24H43NO4.C24H43NO3.C23H42O5.C23H38O4/c1-26(2,3)31-25-19-24(20-25)30-23-13-16-29(17-14-23)22-11-9-10-21(18-22)12-15-28(7,8)32-27(4,5)6;1-25(2,3)31-24-18-23(19-24)30-22-11-15-29(16-12-22)21-10-14-28-20(17-21)9-13-27(7,8)32-26(4,5)6;1-23(2,3)31-22-16-21(17-22)30-20-9-13-29(14-10-20)19-8-12-28-18(15-19)7-11-25(26,27)32-24(4,5)6;1-21(2,3)28-11-9-8-10-27-17-23-14-24(15-23,16-23)20(26)25(7)18-12-19(13-18)29-22(4,5)6;1-21(2,3)27-13-11-9-7-8-10-12-23-16-24(17-23,18-23)20(26)25-14-19(15-25)28-22(4,5)6;1-20(2,3)27-10-9-24-7-8-25-16-22-13-23(14-22,15-22)17-26-18-11-19(12-18)28-21(4,5)6;1-20(2,3)26-11-10-24-9-7-8-22-14-23(15-22,16-22)17-25-18-12-19(13-18)27-21(4,5)6/h9-11,18,23-25H,13-14,16-17,19-20H2,1-8H3;10,14,17,22-24H,11-12,15-16,18-19H2,1-8H3;8,12,15,20-22H,9-10,13-14,16-17H2,1-6H3;18-19H,8-17H2,1-7H3;19H,7-18H2,1-6H3;18-19H,7-17H2,1-6H3;18-19H,9-17H2,1-6H3
InChIKeyZMASSJWXTDDDCR-UHFFFAOYSA-N
MW2915.23 g/mol
LogP35.13
Rot. Bonds55

About 2-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide;2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;1-[3-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]phenyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine;[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]-[3-[7-[(2-methylpropan-2-yl)oxy]heptyl]-1-bicyclo[1.1.1]pentanyl]methanone;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxymethyl]bicyclo[1.1.1]pentane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]bicyclo[1.1.1]pentane

2-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide;2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;1-[3-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]phenyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine;[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]-[3-[7-[(2-methylpropan-2-yl)oxy]heptyl]-1-bicyclo[1.1.1]pentanyl]methanone;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxymethyl]bicyclo[1.1.1]pentane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]bicyclo[1.1.1]pentane (PubChem CID 162157646) has the molecular formula C174H287F2N7O25 and a molecular weight of 2915.23 g/mol. Its IUPAC name is 2-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide;2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;1-[3-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]phenyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine;[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]-[3-[7-[(2-methylpropan-2-yl)oxy]heptyl]-1-bicyclo[1.1.1]pentanyl]methanone;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxymethyl]bicyclo[1.1.1]pentane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]bicyclo[1.1.1]pentane.

Molecular Properties

Compound Name2-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide;2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;1-[3-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]phenyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine;[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]-[3-[7-[(2-methylpropan-2-yl)oxy]heptyl]-1-bicyclo[1.1.1]pentanyl]methanone;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxymethyl]bicyclo[1.1.1]pentane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]bicyclo[1.1.1]pentane
PubChem CID162157646
Molecular FormulaC174H287F2N7O25
Molecular Weight2915.23 g/mol
Exact Mass2913.14
IUPAC Name2-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide;2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;1-[3-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]phenyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine;[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]-[3-[7-[(2-methylpropan-2-yl)oxy]heptyl]-1-bicyclo[1.1.1]pentanyl]methanone;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxymethyl]bicyclo[1.1.1]pentane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]bicyclo[1.1.1]pentane
SMILESCC(C)(C)OC1CC(OC2CCN(c3cccc(C#CC(C)(C)OC(C)(C)C)c3)CC2)C1.CC(C)(C)OC1CC(OC2CCN(c3ccnc(C#CC(C)(C)OC(C)(C)C)c3)CC2)C1.CC(C)(C)OC1CC(OC2CCN(c3ccnc(C#CC(F)(F)OC(C)(C)C)c3)CC2)C1.CC(C)(C)OCCCCCCCC12CC(C(=O)N3CC(OC(C)(C)C)C3)(C1)C2.CC(C)(C)OCCOCC#CC12CC(COC3CC(OC(C)(C)C)C3)(C1)C2.CC(C)(C)OCCOCCOCC12CC(COC3CC(OC(C)(C)C)C3)(C1)C2.CN(C(=O)C12CC(COCCCCOC(C)(C)C)(C1)C2)C1CC(OC(C)(C)C)C1
InChIInChI=1S/C28H43NO3.C27H42N2O3.C25H36F2N2O3.C24H43NO4.C24H43NO3.C23H42O5.C23H38O4/c1-26(2,3)31-25-19-24(20-25)30-23-13-16-29(17-14-23)22-11-9-10-21(18-22)12-15-28(7,8)32-27(4,5)6;1-25(2,3)31-24-18-23(19-24)30-22-11-15-29(16-12-22)21-10-14-28-20(17-21)9-13-27(7,8)32-26(4,5)6;1-23(2,3)31-22-16-21(17-22)30-20-9-13-29(14-10-20)19-8-12-28-18(15-19)7-11-25(26,27)32-24(4,5)6;1-21(2,3)28-11-9-8-10-27-17-23-14-24(15-23,16-23)20(26)25(7)18-12-19(13-18)29-22(4,5)6;1-21(2,3)27-13-11-9-7-8-10-12-23-16-24(17-23,18-23)20(26)25-14-19(15-25)28-22(4,5)6;1-20(2,3)27-10-9-24-7-8-25-16-22-13-23(14-22,15-22)17-26-18-11-19(12-18)28-21(4,5)6;1-20(2,3)26-11-10-24-9-7-8-22-14-23(15-22,16-22)17-25-18-12-19(13-18)27-21(4,5)6/h9-11,18,23-25H,13-14,16-17,19-20H2,1-8H3;10,14,17,22-24H,11-12,15-16,18-19H2,1-8H3;8,12,15,20-22H,9-10,13-14,16-17H2,1-6H3;18-19H,8-17H2,1-7H3;19H,7-18H2,1-6H3;18-19H,7-17H2,1-6H3;18-19H,9-17H2,1-6H3
InChIKeyZMASSJWXTDDDCR-UHFFFAOYSA-N
XLogP35.13
TPSA288.41 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds55
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002915.23
LogP ≤ 535.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 2-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide;2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;1-[3-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]phenyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine;[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]-[3-[7-[(2-methylpropan-2-yl)oxy]heptyl]-1-bicyclo[1.1.1]pentanyl]methanone;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxymethyl]bicyclo[1.1.1]pentane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]bicyclo[1.1.1]pentane with MolForge

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Related Compounds

2-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;1-[3-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]phenyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine;4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[3-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-5-(trifluoromethyl)phenyl]piperidine;2-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]-4-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-6-(trifluoromethyl)pyridine;4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-6-(trifluoromethyl)pyridine
CID 158213836
N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 134488969
6-[3-[4-[3-[2-[[3-[(3-methoxycyclobutyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methoxy]ethoxy]azetidin-1-yl]-2,4-dimethylpentan-2-yl]oxy-3-methylbut-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine-3-carbonitrile
CID 155215143
4-[4-[3-[2,5-dimethyl-5-[3-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]phenyl]prop-2-ynoxy]hexan-2-yl]oxycyclobutyl]oxypiperidin-1-yl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]pyrimidine
CID 166654029
3-[1-[2-(3-ethoxy-3-methylbut-1-ynyl)-4-pyridinyl]piperidin-4-yl]oxycyclobutan-1-ol
CID 142365609
4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]piperidine
CID 134488948
(3-ethoxyazetidin-1-yl)-[3-[7-[(2-methylpropan-2-yl)oxy]heptyl]-1-bicyclo[1.1.1]pentanyl]methanone
CID 166654050
ethane;4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2-(3-methoxyprop-1-ynyl)pyridine;methoxymethane;propane
CID 142365216
3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]-5-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]benzonitrile
CID 134488953
1-[3-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]propoxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol;1-tert-butyl-3-[3-[3-(3-tert-butylcyclobutyl)oxy-2,2-difluoropropoxy]propoxy]azetidine;1-tert-butyl-3-[2,2-difluoro-3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propoxy]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]azetidine;4,4-dimethyl-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]pent-2-yne;1-[(2-methylpropan-2-yl)oxy]-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]but-2-yne;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxymethyl]cyclobutan-1-ol;1,1,1-trifluoro-2-[(2-methylpropan-2-yl)oxy]-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butane
CID 158847887
tert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 155168237
2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyridine;1-(3-but-1-ynylphenyl)-4-(3-methoxycyclobutyl)oxypiperidine;1-(2-cyclobutyloxyethoxy)-3-[(3-methoxycyclobutyl)oxymethyl]cyclobutane;1-(2-cyclobutyloxyethyl)-3-[2-(3-methoxycyclobutyl)oxyethyl]cyclobutane;3-cyclobutyloxy-1-[4-(3-methoxycyclobutyl)oxybut-2-ynyl]piperidine;1-[(2R)-2-heptylcyclopropyl]-3-methoxycyclobutane;1-[2-[4-(3-methoxycyclobutyl)oxybut-2-ynoxy]ethyl]-3-methylazetidine;5-(3-methoxycyclobutyl)oxy-2-[3-(3-methylazetidin-1-yl)prop-1-ynyl]pyridine;5-(3-methoxycyclobutyl)oxy-2-(3-propoxyprop-1-ynyl)pyridine;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propane;1-[3-(3-methylcyclobutyl)oxypropyl]piperidine
CID 167620580

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide;2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;1-[3-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]phenyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine;[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]-[3-[7-[(2-methylpropan-2-yl)oxy]heptyl]-1-bicyclo[1.1.1]pentanyl]methanone;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxymethyl]bicyclo[1.1.1]pentane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]bicyclo[1.1.1]pentane?
The IUPAC name of 2-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide;2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;1-[3-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]phenyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine;[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]-[3-[7-[(2-methylpropan-2-yl)oxy]heptyl]-1-bicyclo[1.1.1]pentanyl]methanone;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxymethyl]bicyclo[1.1.1]pentane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]bicyclo[1.1.1]pentane (CID 162157646) is 2-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide;2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;1-[3-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]phenyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine;[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]-[3-[7-[(2-methylpropan-2-yl)oxy]heptyl]-1-bicyclo[1.1.1]pentanyl]methanone;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxymethyl]bicyclo[1.1.1]pentane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]bicyclo[1.1.1]pentane.
What is the SMILES notation for 2-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide;2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;1-[3-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]phenyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine;[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]-[3-[7-[(2-methylpropan-2-yl)oxy]heptyl]-1-bicyclo[1.1.1]pentanyl]methanone;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxymethyl]bicyclo[1.1.1]pentane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]bicyclo[1.1.1]pentane?
The canonical SMILES for 2-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide;2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;1-[3-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]phenyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine;[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]-[3-[7-[(2-methylpropan-2-yl)oxy]heptyl]-1-bicyclo[1.1.1]pentanyl]methanone;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxymethyl]bicyclo[1.1.1]pentane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]bicyclo[1.1.1]pentane is CC(C)(C)OC1CC(OC2CCN(c3cccc(C#CC(C)(C)OC(C)(C)C)c3)CC2)C1.CC(C)(C)OC1CC(OC2CCN(c3ccnc(C#CC(C)(C)OC(C)(C)C)c3)CC2)C1.CC(C)(C)OC1CC(OC2CCN(c3ccnc(C#CC(F)(F)OC(C)(C)C)c3)CC2)C1.CC(C)(C)OCCCCCCCC12CC(C(=O)N3CC(OC(C)(C)C)C3)(C1)C2.CC(C)(C)OCCOCC#CC12CC(COC3CC(OC(C)(C)C)C3)(C1)C2.CC(C)(C)OCCOCCOCC12CC(COC3CC(OC(C)(C)C)C3)(C1)C2.CN(C(=O)C12CC(COCCCCOC(C)(C)C)(C1)C2)C1CC(OC(C)(C)C)C1.
What is the InChIKey of 2-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide;2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;1-[3-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]phenyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine;[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]-[3-[7-[(2-methylpropan-2-yl)oxy]heptyl]-1-bicyclo[1.1.1]pentanyl]methanone;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxymethyl]bicyclo[1.1.1]pentane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]bicyclo[1.1.1]pentane?
The InChIKey is ZMASSJWXTDDDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43NO3.C27H42N2O3.C25H36F2N2O3.C24H43NO4.C24H43NO3.C23H42O5.C23H38O4/c1-26(2,3)31-25-19-24(20-25)30-23-13-16-29(17-14-23)22-11-9-10-21(18-22)12-15-28(7,8)32-27(4,5)6;1-25(2,3)31-24-18-23(19-24)30-22-11-15-29(16-12-22)21-10-14-28-20(17-21)9-13-27(7,8)32-26(4,5)6;1-23(2,3)31-22-16-21(17-22)30-20-9-13-29(14-10-20)19-8-12-28-18(15-19)7-11-25(26,27)32-24(4,5)6;1-21(2,3)28-11-9-8-10-27-17-23-14-24(15-23,16-23)20(26)25(7)18-12-19(13-18)29-22(4,5)6;1-21(2,3)27-13-11-9-7-8-10-12-23-16-24(17-23,18-23)20(26)25-14-19(15-25)28-22(4,5)6;1-20(2,3)27-10-9-24-7-8-25-16-22-13-23(14-22,15-22)17-26-18-11-19(12-18)28-21(4,5)6;1-20(2,3)26-11-10-24-9-7-8-22-14-23(15-22,16-22)17-25-18-12-19(13-18)27-21(4,5)6/h9-11,18,23-25H,13-14,16-17,19-20H2,1-8H3;10,14,17,22-24H,11-12,15-16,18-19H2,1-8H3;8,12,15,20-22H,9-10,13-14,16-17H2,1-6H3;18-19H,8-17H2,1-7H3;19H,7-18H2,1-6H3;18-19H,7-17H2,1-6H3;18-19H,9-17H2,1-6H3.
What are the key properties of 2-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide;2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;1-[3-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]phenyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine;[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]-[3-[7-[(2-methylpropan-2-yl)oxy]heptyl]-1-bicyclo[1.1.1]pentanyl]methanone;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxymethyl]bicyclo[1.1.1]pentane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]bicyclo[1.1.1]pentane?
2-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide;2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;1-[3-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]phenyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine;[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]-[3-[7-[(2-methylpropan-2-yl)oxy]heptyl]-1-bicyclo[1.1.1]pentanyl]methanone;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxymethyl]bicyclo[1.1.1]pentane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]bicyclo[1.1.1]pentane has a molecular weight of 2915.23 g/mol, XLogP of 35.13, 55 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide;2-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine;1-[3-[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]phenyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine;[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]-[3-[7-[(2-methylpropan-2-yl)oxy]heptyl]-1-bicyclo[1.1.1]pentanyl]methanone;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxymethyl]bicyclo[1.1.1]pentane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]-3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]bicyclo[1.1.1]pentane is sourced from PubChem (CID 162157646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).