2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine

C172H314F20N22O17 — CID 157431130

IUPAC2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)(F)COC(C)(C)C.CC(C)(C)NCC(F)(F)COc1ccc(C(C)(C)C)nc1.CC(C)(C)NCC(F)(F)COc1ccc(N2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)OCC(F)(F)COC(C)(C)C.CC(C)(C)OCC(F)(F)COc1ccc(C(C)(C)C)nc1.CC(C)(C)OCC(F)(F)COc1ccc(N2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)OCCN1CCN(CCCCOCC(F)(F)COC(C)(C)C)CC1.CC(C)N1CCN(CCCCOCC(F)(F)CNC(C)(C)C)CC1.CC(C)N1CCN(CCCCOCC(F)(F)COC(C)(C)C)CC1.CC(C)OCCN1CCN(c2ccc(OCC(F)(F)CNC(C)(C)C)cn2)CC1
InChIInChI=1S/C21H36F2N4O2.C21H42F2N2O3.C20H34F2N4O.C20H33F2N3O2.C18H37F2N3O.C18H36F2N2O2.C16H26F2N2O.C16H25F2NO2.C11H23F2NO.C11H22F2O2/c1-17(2)28-13-12-26-8-10-27(11-9-26)19-7-6-18(14-24-19)29-16-21(22,23)15-25-20(3,4)5;1-19(2,3)27-16-14-25-12-10-24(11-13-25)9-7-8-15-26-17-21(22,23)18-28-20(4,5)6;1-18(2,3)24-14-20(21,22)15-27-16-7-8-17(23-13-16)25-9-11-26(12-10-25)19(4,5)6;1-18(2,3)25-11-9-24(10-12-25)17-8-7-16(13-23-17)26-14-20(21,22)15-27-19(4,5)6;1-16(2)23-11-9-22(10-12-23)8-6-7-13-24-15-18(19,20)14-21-17(3,4)5;1-16(2)22-11-9-21(10-12-22)8-6-7-13-23-14-18(19,20)15-24-17(3,4)5;1-14(2,3)13-8-7-12(9-19-13)21-11-16(17,18)10-20-15(4,5)6;1-14(2,3)13-8-7-12(9-19-13)20-10-16(17,18)11-21-15(4,5)6;2*1-9(2,3)14-7-11(12,13)8-15-10(4,5)6/h6-7,14,17,25H,8-13,15-16H2,1-5H3;7-18H2,1-6H3;7-8,13,24H,9-12,14-15H2,1-6H3;7-8,13H,9-12,14-15H2,1-6H3;16,21H,6-15H2,1-5H3;16H,6-15H2,1-5H3;7-9,20H,10-11H2,1-6H3;7-9H,10-11H2,1-6H3;14H,7-8H2,1-6H3;7-8H2,1-6H3
InChIKeyBQNXATHCWWNIBJ-UHFFFAOYSA-N
MW3342.50 g/mol
LogP34.09
Rot. Bonds72

About 2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine

2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine (PubChem CID 157431130) has the molecular formula C172H314F20N22O17 and a molecular weight of 3342.50 g/mol. Its IUPAC name is 2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine
PubChem CID157431130
Molecular FormulaC172H314F20N22O17
Molecular Weight3342.50 g/mol
Exact Mass3340.41
IUPAC Name2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)(F)COC(C)(C)C.CC(C)(C)NCC(F)(F)COc1ccc(C(C)(C)C)nc1.CC(C)(C)NCC(F)(F)COc1ccc(N2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)OCC(F)(F)COC(C)(C)C.CC(C)(C)OCC(F)(F)COc1ccc(C(C)(C)C)nc1.CC(C)(C)OCC(F)(F)COc1ccc(N2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)OCCN1CCN(CCCCOCC(F)(F)COC(C)(C)C)CC1.CC(C)N1CCN(CCCCOCC(F)(F)CNC(C)(C)C)CC1.CC(C)N1CCN(CCCCOCC(F)(F)COC(C)(C)C)CC1.CC(C)OCCN1CCN(c2ccc(OCC(F)(F)CNC(C)(C)C)cn2)CC1
InChIInChI=1S/C21H36F2N4O2.C21H42F2N2O3.C20H34F2N4O.C20H33F2N3O2.C18H37F2N3O.C18H36F2N2O2.C16H26F2N2O.C16H25F2NO2.C11H23F2NO.C11H22F2O2/c1-17(2)28-13-12-26-8-10-27(11-9-26)19-7-6-18(14-24-19)29-16-21(22,23)15-25-20(3,4)5;1-19(2,3)27-16-14-25-12-10-24(11-13-25)9-7-8-15-26-17-21(22,23)18-28-20(4,5)6;1-18(2,3)24-14-20(21,22)15-27-16-7-8-17(23-13-16)25-9-11-26(12-10-25)19(4,5)6;1-18(2,3)25-11-9-24(10-12-25)17-8-7-16(13-23-17)26-14-20(21,22)15-27-19(4,5)6;1-16(2)23-11-9-22(10-12-23)8-6-7-13-24-15-18(19,20)14-21-17(3,4)5;1-16(2)22-11-9-21(10-12-22)8-6-7-13-23-14-18(19,20)15-24-17(3,4)5;1-14(2,3)13-8-7-12(9-19-13)21-11-16(17,18)10-20-15(4,5)6;1-14(2,3)13-8-7-12(9-19-13)20-10-16(17,18)11-21-15(4,5)6;2*1-9(2,3)14-7-11(12,13)8-15-10(4,5)6/h6-7,14,17,25H,8-13,15-16H2,1-5H3;7-18H2,1-6H3;7-8,13,24H,9-12,14-15H2,1-6H3;7-8,13H,9-12,14-15H2,1-6H3;16,21H,6-15H2,1-5H3;16H,6-15H2,1-5H3;7-9,20H,10-11H2,1-6H3;7-9H,10-11H2,1-6H3;14H,7-8H2,1-6H3;7-8H2,1-6H3
InChIKeyBQNXATHCWWNIBJ-UHFFFAOYSA-N
XLogP34.09
TPSA320.39 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds72
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003342.50
LogP ≤ 534.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521024
(3R,6R)-3-[3-fluoro-6-[(3-methoxypyridin-2-yl)amino]pyridin-2-yl]-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine
CID 71550366
5-[2-Morpholin-4-yl-6-(5-piperidin-4-yloxypyridin-3-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507700
5-[2-Morpholin-4-yl-6-[5-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507830
3-[3-fluoro-6-[(3-methoxypyridin-2-yl)amino]pyridin-2-yl]-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine
CID 78108355
6-ethenyl-3-[3-fluoro-6-[(3-methoxy-2-pyridinyl)amino]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine
CID 124029054
5-[5-[3-(tert-butylamino)-2,2-difluoropropoxy]pyridin-2-yl]-N-[3-[6-(4-tert-butylpiperazin-1-yl)pyridin-3-yl]oxy-2,2-difluoropropyl]-2,5-dimethylhexan-2-amine
CID 135216829
5-[2-[2-(tert-butylamino)ethoxy]ethoxy]-N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-N-[2-[4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridin-2-yl]piperazin-1-yl]-2-methylpropyl]-2,5-dimethylhexan-2-amine
CID 135279186
(2R)-6-[2-amino-4-[[(2R)-4-[2-amino-7-fluoro-4-[[(3R)-1-fluoro-2-hydroxyheptan-3-yl]amino]-2H-pyrido[3,2-d]pyrimidin-1-yl]-1-hydroxyhexan-2-yl]amino]-7-ethoxy-2H-pyrido[3,2-d]pyrimidin-1-yl]-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol
CID 145149405
8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(3-methoxypropylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 146178145
2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine
CID 157050435
2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine
CID 157062064

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine?
The IUPAC name of 2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine (CID 157431130) is 2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for 2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine?
The canonical SMILES for 2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine is CC(C)(C)NCC(F)(F)COC(C)(C)C.CC(C)(C)NCC(F)(F)COc1ccc(C(C)(C)C)nc1.CC(C)(C)NCC(F)(F)COc1ccc(N2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)OCC(F)(F)COC(C)(C)C.CC(C)(C)OCC(F)(F)COc1ccc(C(C)(C)C)nc1.CC(C)(C)OCC(F)(F)COc1ccc(N2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)OCCN1CCN(CCCCOCC(F)(F)COC(C)(C)C)CC1.CC(C)N1CCN(CCCCOCC(F)(F)CNC(C)(C)C)CC1.CC(C)N1CCN(CCCCOCC(F)(F)COC(C)(C)C)CC1.CC(C)OCCN1CCN(c2ccc(OCC(F)(F)CNC(C)(C)C)cn2)CC1.
What is the InChIKey of 2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine?
The InChIKey is BQNXATHCWWNIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36F2N4O2.C21H42F2N2O3.C20H34F2N4O.C20H33F2N3O2.C18H37F2N3O.C18H36F2N2O2.C16H26F2N2O.C16H25F2NO2.C11H23F2NO.C11H22F2O2/c1-17(2)28-13-12-26-8-10-27(11-9-26)19-7-6-18(14-24-19)29-16-21(22,23)15-25-20(3,4)5;1-19(2,3)27-16-14-25-12-10-24(11-13-25)9-7-8-15-26-17-21(22,23)18-28-20(4,5)6;1-18(2,3)24-14-20(21,22)15-27-16-7-8-17(23-13-16)25-9-11-26(12-10-25)19(4,5)6;1-18(2,3)25-11-9-24(10-12-25)17-8-7-16(13-23-17)26-14-20(21,22)15-27-19(4,5)6;1-16(2)23-11-9-22(10-12-23)8-6-7-13-24-15-18(19,20)14-21-17(3,4)5;1-16(2)22-11-9-21(10-12-22)8-6-7-13-23-14-18(19,20)15-24-17(3,4)5;1-14(2,3)13-8-7-12(9-19-13)21-11-16(17,18)10-20-15(4,5)6;1-14(2,3)13-8-7-12(9-19-13)20-10-16(17,18)11-21-15(4,5)6;2*1-9(2,3)14-7-11(12,13)8-15-10(4,5)6/h6-7,14,17,25H,8-13,15-16H2,1-5H3;7-18H2,1-6H3;7-8,13,24H,9-12,14-15H2,1-6H3;7-8,13H,9-12,14-15H2,1-6H3;16,21H,6-15H2,1-5H3;16H,6-15H2,1-5H3;7-9,20H,10-11H2,1-6H3;7-9H,10-11H2,1-6H3;14H,7-8H2,1-6H3;7-8H2,1-6H3.
What are the key properties of 2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine?
2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine has a molecular weight of 3342.50 g/mol, XLogP of 34.09, 72 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 157431130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).