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

C159H233F11N10O18 — CID 158213836

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;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
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)OCC#Cc1cc(N2CCC(OC3CC(OC(C)(C)C)C3)CC2)cc(C(F)(F)F)c1.CC(C)(C)OCC#Cc1cc(N2CCC(OC3CC(OC(C)(C)C)C3)CC2)cc(C(F)(F)F)n1.CC(C)(C)OCC#Cc1cc(N2CCC(OC3CC(OC(C)(C)C)C3)CC2)nc(C(F)(F)F)c1
InChIInChI=1S/C28H43NO3.C27H38F3NO3.C27H42N2O3.2C26H37F3N2O3.C25H36F2N2O3/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)32-13-7-8-19-14-20(27(28,29)30)16-21(15-19)31-11-9-22(10-12-31)33-23-17-24(18-23)34-26(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;1-24(2,3)32-13-7-8-18-14-19(15-23(30-18)26(27,28)29)31-11-9-20(10-12-31)33-21-16-22(17-21)34-25(4,5)6;1-24(2,3)32-13-7-8-18-14-22(26(27,28)29)30-23(15-18)31-11-9-19(10-12-31)33-20-16-21(17-20)34-25(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/h9-11,18,23-25H,13-14,16-17,19-20H2,1-8H3;14-16,22-24H,9-13,17-18H2,1-6H3;10,14,17,22-24H,11-12,15-16,18-19H2,1-8H3;14-15,20-22H,9-13,16-17H2,1-6H3;14-15,19-21H,9-13,16-17H2,1-6H3;8,12,15,20-22H,9-10,13-14,16-17H2,1-6H3
InChIKeyGCJYRDPLOOAKFR-UHFFFAOYSA-N
MW2781.64 g/mol
LogP33.89
Rot. Bonds30

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;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

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 (PubChem CID 158213836) has the molecular formula C159H233F11N10O18 and a molecular weight of 2781.64 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;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.

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;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
PubChem CID158213836
Molecular FormulaC159H233F11N10O18
Molecular Weight2781.64 g/mol
Exact Mass2779.74
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;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
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)OCC#Cc1cc(N2CCC(OC3CC(OC(C)(C)C)C3)CC2)cc(C(F)(F)F)c1.CC(C)(C)OCC#Cc1cc(N2CCC(OC3CC(OC(C)(C)C)C3)CC2)cc(C(F)(F)F)n1.CC(C)(C)OCC#Cc1cc(N2CCC(OC3CC(OC(C)(C)C)C3)CC2)nc(C(F)(F)F)c1
InChIInChI=1S/C28H43NO3.C27H38F3NO3.C27H42N2O3.2C26H37F3N2O3.C25H36F2N2O3/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)32-13-7-8-19-14-20(27(28,29)30)16-21(15-19)31-11-9-22(10-12-31)33-23-17-24(18-23)34-26(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;1-24(2,3)32-13-7-8-18-14-19(15-23(30-18)26(27,28)29)31-11-9-20(10-12-31)33-21-16-22(17-21)34-25(4,5)6;1-24(2,3)32-13-7-8-18-14-22(26(27,28)29)30-23(15-18)31-11-9-19(10-12-31)33-20-16-21(17-20)34-25(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/h9-11,18,23-25H,13-14,16-17,19-20H2,1-8H3;14-16,22-24H,9-13,17-18H2,1-6H3;10,14,17,22-24H,11-12,15-16,18-19H2,1-8H3;14-15,20-22H,9-13,16-17H2,1-6H3;14-15,19-21H,9-13,16-17H2,1-6H3;8,12,15,20-22H,9-10,13-14,16-17H2,1-6H3
InChIKeyGCJYRDPLOOAKFR-UHFFFAOYSA-N
XLogP33.89
TPSA237.14 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds30
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002781.64
LogP ≤ 533.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'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;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 with MolForge

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Related Compounds

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
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
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
3-[1-[2-(3-ethoxy-3-methylbut-1-ynyl)-4-pyridinyl]piperidin-4-yl]oxycyclobutan-1-ol
CID 142365609
ethane;4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2-(3-methoxyprop-1-ynyl)pyridine;methoxymethane;propane
CID 142365216
4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[3-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]piperidine
CID 134488948
ethane;3-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-5-(3-methoxyprop-1-ynyl)benzonitrile
CID 153330282
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[2-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-6-(trifluoromethyl)-4-pyridinyl]prop-2-ynoxy]-3H-isoindol-1-one
CID 167561464
1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine
CID 175649905
4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[6-[(2-methylpropan-2-yl)oxy]hex-4-ynyl]piperidine
CID 134488993
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
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554

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;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?
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;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) 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;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.
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;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?
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;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 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)OCC#Cc1cc(N2CCC(OC3CC(OC(C)(C)C)C3)CC2)cc(C(F)(F)F)c1.CC(C)(C)OCC#Cc1cc(N2CCC(OC3CC(OC(C)(C)C)C3)CC2)cc(C(F)(F)F)n1.CC(C)(C)OCC#Cc1cc(N2CCC(OC3CC(OC(C)(C)C)C3)CC2)nc(C(F)(F)F)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;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?
The InChIKey is GCJYRDPLOOAKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43NO3.C27H38F3NO3.C27H42N2O3.2C26H37F3N2O3.C25H36F2N2O3/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)32-13-7-8-19-14-20(27(28,29)30)16-21(15-19)31-11-9-22(10-12-31)33-23-17-24(18-23)34-26(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;1-24(2,3)32-13-7-8-18-14-19(15-23(30-18)26(27,28)29)31-11-9-20(10-12-31)33-21-16-22(17-21)34-25(4,5)6;1-24(2,3)32-13-7-8-18-14-22(26(27,28)29)30-23(15-18)31-11-9-19(10-12-31)33-20-16-21(17-20)34-25(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/h9-11,18,23-25H,13-14,16-17,19-20H2,1-8H3;14-16,22-24H,9-13,17-18H2,1-6H3;10,14,17,22-24H,11-12,15-16,18-19H2,1-8H3;14-15,20-22H,9-13,16-17H2,1-6H3;14-15,19-21H,9-13,16-17H2,1-6H3;8,12,15,20-22H,9-10,13-14,16-17H2,1-6H3.
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;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?
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 has a molecular weight of 2781.64 g/mol, XLogP of 33.89, 30 rotatable bonds, 0 hydrogen bond donors, and 28 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;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 is sourced from PubChem (CID 158213836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).