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

C44H56F6N10O4 — CID 158553041

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

(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol (PubChem CID 158553041) has the molecular formula C44H56F6N10O4 and a molecular weight of 902.99 g/mol. Its IUPAC name is (1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-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-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol
• PubChem CID: 158553041
• Molecular Formula: C44H56F6N10O4
• Molecular Weight: 902.99 g/mol
• Exact Mass: 902.44
• IUPAC Name: (1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol
• SMILES: CC(C)[C@@H](O)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2.CC(C)[C@H](O)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2
• InChI: InChI=1S/2C22H28F3N5O2/c2*1-13(2)17(31)19-28-16(14-7-15(22(23,24)25)18(26)27-8-14)9-30(19)21-10-20(11-21,12-21)29-3-5-32-6-4-29/h2*7-9,13,17,31H,3-6,10-12H2,1-2H3,(H2,26,27)/t2*17-,20?,21?/m10/s1
• InChIKey: HPYNBJHRICPCSR-DPPVVQDRSA-N
• XLogP: 6.40
• TPSA: 178.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	902.99
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-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-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol (CID 158553041) is (1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-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-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-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-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol is CC(C)[C@@H](O)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2.CC(C)[C@H](O)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2.

What is the InChIKey of (1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol?

The InChIKey is HPYNBJHRICPCSR-DPPVVQDRSA-N. The full InChI is InChI=1S/2C22H28F3N5O2/c2*1-13(2)17(31)19-28-16(14-7-15(22(23,24)25)18(26)27-8-14)9-30(19)21-10-20(11-21,12-21)29-3-5-32-6-4-29/h2*7-9,13,17,31H,3-6,10-12H2,1-2H3,(H2,26,27)/t2*17-,20?,21?/m10/s1.

What are the key properties of (1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol?

(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol has a molecular weight of 902.99 g/mol, XLogP of 6.40, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 158553041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).