(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-methylpropan-1-ol;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;methane

C70H88F15N15O6 — CID 161107712

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-methylpropan-1-ol;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;methane
SMILESC.CC(C)C(O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(N3CCC(F)(F)CC3)(C1)C2.CC(C)[C@@H](O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(N3CCC(F)(F)CC3)(C1)C2.CC(C)[C@H](O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(N3CCC(F)(F)CC3)(C1)C2
InChIInChI=1S/3C23H28F5N5O2.CH4/c3*1-13(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;/h3*7-9,13,17,34H,3-6,10-12H2,1-2H3,(H2,29,30);1H4/t2*17-,20?,21?;;/m10../s1
InChIKeyUJGWCPTXXOPAJW-CZLXLRMGSA-N
MW1520.54 g/mol
LogP14.07
Rot. Bonds18

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-methylpropan-1-ol;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;methane

(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-methylpropan-1-ol;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;methane (PubChem CID 161107712) has the molecular formula C70H88F15N15O6 and a molecular weight of 1520.54 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-methylpropan-1-ol;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;methane.

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-methylpropan-1-ol;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;methane
PubChem CID161107712
Molecular FormulaC70H88F15N15O6
Molecular Weight1520.54 g/mol
Exact Mass1519.68
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-methylpropan-1-ol;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;methane
SMILESC.CC(C)C(O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(N3CCC(F)(F)CC3)(C1)C2.CC(C)[C@@H](O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(N3CCC(F)(F)CC3)(C1)C2.CC(C)[C@H](O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(N3CCC(F)(F)CC3)(C1)C2
InChIInChI=1S/3C23H28F5N5O2.CH4/c3*1-13(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;/h3*7-9,13,17,34H,3-6,10-12H2,1-2H3,(H2,29,30);1H4/t2*17-,20?,21?;;/m10../s1
InChIKeyUJGWCPTXXOPAJW-CZLXLRMGSA-N
XLogP14.07
TPSA268.29 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001520.54
LogP ≤ 514.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

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-methylpropan-1-ol;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;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methyl-propan-1-ol
CID 134590083
US10093664, Example 3
CID 134590089
(1R)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol
CID 156274380
US10093664, Example 57
CID 134601078
US10093664, Example 1
CID 134590099
US11560366, Example 13
CID 156274412
US10093664, Example 67
CID 134590085
US10093664, Example 10
CID 134590142
US10093664, Example 8a
CID 135185713
US11560366, Example 3b
CID 156274387
US11560366, Example 9b
CID 156274397
US11560366, Example 8a
CID 156274418

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-methylpropan-1-ol;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;methane?
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-methylpropan-1-ol;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;methane (CID 161107712) 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-methylpropan-1-ol;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;methane.
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-methylpropan-1-ol;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;methane?
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-methylpropan-1-ol;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;methane is C.CC(C)C(O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(N3CCC(F)(F)CC3)(C1)C2.CC(C)[C@@H](O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(N3CCC(F)(F)CC3)(C1)C2.CC(C)[C@H](O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(N3CCC(F)(F)CC3)(C1)C2.
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-methylpropan-1-ol;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;methane?
The InChIKey is UJGWCPTXXOPAJW-CZLXLRMGSA-N. The full InChI is InChI=1S/3C23H28F5N5O2.CH4/c3*1-13(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;/h3*7-9,13,17,34H,3-6,10-12H2,1-2H3,(H2,29,30);1H4/t2*17-,20?,21?;;/m10../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-methylpropan-1-ol;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;methane?
(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-methylpropan-1-ol;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;methane has a molecular weight of 1520.54 g/mol, XLogP of 14.07, 18 rotatable bonds, 6 hydrogen bond donors, and 21 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-methylpropan-1-ol;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;methane is sourced from PubChem (CID 161107712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).