[(8R)-8-methyl-3-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyrazin-8-yl]methanol

C28H26F3N3O2 — CID 58725128

IUPAC[(8R)-8-methyl-3-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyrazin-8-yl]methanol
SMILESC[C@@]1(CO)NCCn2c(-c3ccc(OCc4ccc(-c5ccccc5)cc4)c(C(F)(F)F)c3)cnc21
InChIInChI=1S/C28H26F3N3O2/c1-27(18-35)26-32-16-24(34(26)14-13-33-27)22-11-12-25(23(15-22)28(29,30)31)36-17-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-12,15-16,33,35H,13-14,17-18H2,1H3/t27-/m0/s1
InChIKeyCGTATILPJSBWPC-MHZLTWQESA-N
MW493.53 g/mol
LogP5.63
Rot. Bonds6

About [(8R)-8-methyl-3-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyrazin-8-yl]methanol

[(8R)-8-methyl-3-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyrazin-8-yl]methanol (PubChem CID 58725128) has the molecular formula C28H26F3N3O2 and a molecular weight of 493.53 g/mol. Its IUPAC name is [(8R)-8-methyl-3-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyrazin-8-yl]methanol.

Molecular Properties

Compound Name[(8R)-8-methyl-3-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyrazin-8-yl]methanol
PubChem CID58725128
Molecular FormulaC28H26F3N3O2
Molecular Weight493.53 g/mol
Exact Mass493.20
IUPAC Name[(8R)-8-methyl-3-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyrazin-8-yl]methanol
SMILESC[C@@]1(CO)NCCn2c(-c3ccc(OCc4ccc(-c5ccccc5)cc4)c(C(F)(F)F)c3)cnc21
InChIInChI=1S/C28H26F3N3O2/c1-27(18-35)26-32-16-24(34(26)14-13-33-27)22-11-12-25(23(15-22)28(29,30)31)36-17-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-12,15-16,33,35H,13-14,17-18H2,1H3/t27-/m0/s1
InChIKeyCGTATILPJSBWPC-MHZLTWQESA-N
XLogP5.63
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.53
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
(R)-2-amino-2-(4-(4-(biphenyl-4-ylmethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 25008420
[(2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl] dihydrogen phosphate
CID 58724992
7-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179283
5-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179296
3-[4-[(2-Methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179301
3,6-Bis(4-isopropoxyphenyl)imidazo[1,2-a]pyridine
CID 134179604
6-(3-Methyl-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179850
6-[4-[(2-Methylpropan-2-yl)oxy]phenyl]-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179851
Antiproliferative agent-14
CID 86280647
hTrkA-IN-2
CID 146672948
2-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]propan-2-ol
CID 164610020

Frequently Asked Questions

What is the IUPAC name of [(8R)-8-methyl-3-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyrazin-8-yl]methanol?
The IUPAC name of [(8R)-8-methyl-3-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyrazin-8-yl]methanol (CID 58725128) is [(8R)-8-methyl-3-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyrazin-8-yl]methanol.
What is the SMILES notation for [(8R)-8-methyl-3-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyrazin-8-yl]methanol?
The canonical SMILES for [(8R)-8-methyl-3-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyrazin-8-yl]methanol is C[C@@]1(CO)NCCn2c(-c3ccc(OCc4ccc(-c5ccccc5)cc4)c(C(F)(F)F)c3)cnc21.
What is the InChIKey of [(8R)-8-methyl-3-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyrazin-8-yl]methanol?
The InChIKey is CGTATILPJSBWPC-MHZLTWQESA-N. The full InChI is InChI=1S/C28H26F3N3O2/c1-27(18-35)26-32-16-24(34(26)14-13-33-27)22-11-12-25(23(15-22)28(29,30)31)36-17-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-12,15-16,33,35H,13-14,17-18H2,1H3/t27-/m0/s1.
What are the key properties of [(8R)-8-methyl-3-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyrazin-8-yl]methanol?
[(8R)-8-methyl-3-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyrazin-8-yl]methanol has a molecular weight of 493.53 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-8-methyl-3-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyrazin-8-yl]methanol is sourced from PubChem (CID 58725128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).