(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol

C128H133F45N30O10 — CID 159947555

IUPAC(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol
SMILESCC(C)[C@@H](O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(N3CCC(F)(F)CC3)(C1)C2.Nc1ncc(-c2cn(C34CC(N5CCC(F)(F)CC5)(C3)C4)c(C(O)C(F)(F)F)n2)cc1C(F)(F)F.Nc1ncc(-c2cn(C34CC(N5CCC(F)(F)CC5)(C3)C4)c(C(O)C(F)(F)F)n2)cc1OC(F)(F)F.Nc1ncc(-c2cn(C34CC(N5CCC(F)(F)CC5)(C3)C4)c([C@@H](O)C(F)(F)F)n2)cc1C(F)(F)F.Nc1ncc(-c2cn(C34CC(N5CCC(F)(F)CC5)(C3)C4)c([C@@H](O)C(F)(F)F)n2)cc1OC(F)(F)F.Nc1ncc(-c2cn(C34CC(N5CCC(F)(F)CC5)(C3)C4)c([C@H](O)C(F)(F)F)n2)cc1OC(F)(F)F
InChIInChI=1S/C23H28F5N5O2.3C21H21F8N5O2.2C21H21F8N5O/c1-13(2)17(34)19-31-15(14-7-16(18(29)30-8-14)35-23(26,27)28)9-33(19)21-10-20(11-21,12-21)32-5-3-22(24,25)4-6-32;3*22-19(23)1-3-33(4-2-19)17-8-18(9-17,10-17)34-7-12(32-16(34)14(35)20(24,25)26)11-5-13(15(30)31-6-11)36-21(27,28)29;2*22-19(23)1-3-33(4-2-19)17-8-18(9-17,10-17)34-7-13(32-16(34)14(35)21(27,28)29)11-5-12(20(24,25)26)15(30)31-6-11/h7-9,13,17,34H,3-6,10-12H2,1-2H3,(H2,29,30);3*5-7,14,35H,1-4,8-10H2,(H2,30,31);2*5-7,14,35H,1-4,8-10H2,(H2,30,31)/t17-,20?,21?;2*14-,17?,18?;;14-,17?,18?;/m110.1./s1
InChIKeyOBRKINMVSWEOHG-ULUCQRPYSA-N
MW3106.58 g/mol
LogP26.64
Rot. Bonds29

About (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol

(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol (PubChem CID 159947555) has the molecular formula C128H133F45N30O10 and a molecular weight of 3106.58 g/mol. Its IUPAC name is (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol
PubChem CID159947555
Molecular FormulaC128H133F45N30O10
Molecular Weight3106.58 g/mol
Exact Mass3105.01
IUPAC Name(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol
SMILESCC(C)[C@@H](O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(N3CCC(F)(F)CC3)(C1)C2.Nc1ncc(-c2cn(C34CC(N5CCC(F)(F)CC5)(C3)C4)c(C(O)C(F)(F)F)n2)cc1C(F)(F)F.Nc1ncc(-c2cn(C34CC(N5CCC(F)(F)CC5)(C3)C4)c(C(O)C(F)(F)F)n2)cc1OC(F)(F)F.Nc1ncc(-c2cn(C34CC(N5CCC(F)(F)CC5)(C3)C4)c([C@@H](O)C(F)(F)F)n2)cc1C(F)(F)F.Nc1ncc(-c2cn(C34CC(N5CCC(F)(F)CC5)(C3)C4)c([C@@H](O)C(F)(F)F)n2)cc1OC(F)(F)F.Nc1ncc(-c2cn(C34CC(N5CCC(F)(F)CC5)(C3)C4)c([C@H](O)C(F)(F)F)n2)cc1OC(F)(F)F
InChIInChI=1S/C23H28F5N5O2.3C21H21F8N5O2.2C21H21F8N5O/c1-13(2)17(34)19-31-15(14-7-16(18(29)30-8-14)35-23(26,27)28)9-33(19)21-10-20(11-21,12-21)32-5-3-22(24,25)4-6-32;3*22-19(23)1-3-33(4-2-19)17-8-18(9-17,10-17)34-7-12(32-16(34)14(35)20(24,25)26)11-5-13(15(30)31-6-11)36-21(27,28)29;2*22-19(23)1-3-33(4-2-19)17-8-18(9-17,10-17)34-7-13(32-16(34)14(35)21(27,28)29)11-5-12(20(24,25)26)15(30)31-6-11/h7-9,13,17,34H,3-6,10-12H2,1-2H3,(H2,29,30);3*5-7,14,35H,1-4,8-10H2,(H2,30,31);2*5-7,14,35H,1-4,8-10H2,(H2,30,31)/t17-,20?,21?;2*14-,17?,18?;;14-,17?,18?;/m110.1./s1
InChIKeyOBRKINMVSWEOHG-ULUCQRPYSA-N
XLogP26.64
TPSA518.12 Ų
H-Bond Donors12
H-Bond Acceptors40
Rotatable Bonds29
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003106.58
LogP ≤ 526.64
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1040

Analyze (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol?
The IUPAC name of (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol (CID 159947555) is (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol.
What is the SMILES notation for (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol?
The canonical SMILES for (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol is CC(C)[C@@H](O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(N3CCC(F)(F)CC3)(C1)C2.Nc1ncc(-c2cn(C34CC(N5CCC(F)(F)CC5)(C3)C4)c(C(O)C(F)(F)F)n2)cc1C(F)(F)F.Nc1ncc(-c2cn(C34CC(N5CCC(F)(F)CC5)(C3)C4)c(C(O)C(F)(F)F)n2)cc1OC(F)(F)F.Nc1ncc(-c2cn(C34CC(N5CCC(F)(F)CC5)(C3)C4)c([C@@H](O)C(F)(F)F)n2)cc1C(F)(F)F.Nc1ncc(-c2cn(C34CC(N5CCC(F)(F)CC5)(C3)C4)c([C@@H](O)C(F)(F)F)n2)cc1OC(F)(F)F.Nc1ncc(-c2cn(C34CC(N5CCC(F)(F)CC5)(C3)C4)c([C@H](O)C(F)(F)F)n2)cc1OC(F)(F)F.
What is the InChIKey of (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol?
The InChIKey is OBRKINMVSWEOHG-ULUCQRPYSA-N. The full InChI is InChI=1S/C23H28F5N5O2.3C21H21F8N5O2.2C21H21F8N5O/c1-13(2)17(34)19-31-15(14-7-16(18(29)30-8-14)35-23(26,27)28)9-33(19)21-10-20(11-21,12-21)32-5-3-22(24,25)4-6-32;3*22-19(23)1-3-33(4-2-19)17-8-18(9-17,10-17)34-7-12(32-16(34)14(35)20(24,25)26)11-5-13(15(30)31-6-11)36-21(27,28)29;2*22-19(23)1-3-33(4-2-19)17-8-18(9-17,10-17)34-7-13(32-16(34)14(35)21(27,28)29)11-5-12(20(24,25)26)15(30)31-6-11/h7-9,13,17,34H,3-6,10-12H2,1-2H3,(H2,29,30);3*5-7,14,35H,1-4,8-10H2,(H2,30,31);2*5-7,14,35H,1-4,8-10H2,(H2,30,31)/t17-,20?,21?;2*14-,17?,18?;;14-,17?,18?;/m110.1./s1.
What are the key properties of (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol?
(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol has a molecular weight of 3106.58 g/mol, XLogP of 26.64, 29 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 159947555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).