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

C54H60F12N12O3 — CID 158878637

IUPAC(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(F)(C1)C2.CC(C)[C@@H](O)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(F)(C1)C2.CC(C)[C@H](O)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(F)(C1)C2
InChIInChI=1S/3C18H20F4N4O/c3*1-9(2)13(27)15-25-12(5-26(15)17-6-16(19,7-17)8-17)10-3-11(18(20,21)22)14(23)24-4-10/h3*3-5,9,13,27H,6-8H2,1-2H3,(H2,23,24)/t2*13-,16?,17?;/m10./s1
InChIKeyJCTHTIPYLULDAC-DPUOLYPJSA-N
MW1153.13 g/mol
LogP11.51
Rot. Bonds12

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

(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol (PubChem CID 158878637) has the molecular formula C54H60F12N12O3 and a molecular weight of 1153.13 g/mol. Its IUPAC name is (1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol
PubChem CID158878637
Molecular FormulaC54H60F12N12O3
Molecular Weight1153.13 g/mol
Exact Mass1152.47
IUPAC Name(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(F)(C1)C2.CC(C)[C@@H](O)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(F)(C1)C2.CC(C)[C@H](O)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(F)(C1)C2
InChIInChI=1S/3C18H20F4N4O/c3*1-9(2)13(27)15-25-12(5-26(15)17-6-16(19,7-17)8-17)10-3-11(18(20,21)22)14(23)24-4-10/h3*3-5,9,13,27H,6-8H2,1-2H3,(H2,23,24)/t2*13-,16?,17?;/m10./s1
InChIKeyJCTHTIPYLULDAC-DPUOLYPJSA-N
XLogP11.51
TPSA230.88 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001153.13
LogP ≤ 511.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

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

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Related Compounds

US11560366, Example 14b
CID 156274419
US10093664, Example 47
CID 134601023
US10093664, Example 2
CID 134601059
US10093664, Example 68
CID 134601183
US10093664, Example 6b
CID 134590103
US10093664, Example 69a
CID 134601014
US10093664, Example 59
CID 134601178
US11560366, Example 7a
CID 156274390
US11560366, Example 10a
CID 156274411
US11560366, Example 4b
CID 156274420
US10131675, Example 90
CID 122536179
US10093664, Example 5b
CID 134590082

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol?
The IUPAC name of (1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol (CID 158878637) is (1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol.
What is the SMILES notation for (1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol?
The canonical SMILES for (1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol is CC(C)C(O)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(F)(C1)C2.CC(C)[C@@H](O)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(F)(C1)C2.CC(C)[C@H](O)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(F)(C1)C2.
What is the InChIKey of (1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol?
The InChIKey is JCTHTIPYLULDAC-DPUOLYPJSA-N. The full InChI is InChI=1S/3C18H20F4N4O/c3*1-9(2)13(27)15-25-12(5-26(15)17-6-16(19,7-17)8-17)10-3-11(18(20,21)22)14(23)24-4-10/h3*3-5,9,13,27H,6-8H2,1-2H3,(H2,23,24)/t2*13-,16?,17?;/m10./s1.
What are the key properties of (1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol?
(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol has a molecular weight of 1153.13 g/mol, XLogP of 11.51, 12 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 158878637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).