3-[3-(3-methylsulfonylphenoxy)phenyl]-2-propan-2-yl-6-[2-[3-[3-[2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine

C49H42F6N4O6S2 — CID 143830718

IUPAC3-[3-(3-methylsulfonylphenoxy)phenyl]-2-propan-2-yl-6-[2-[3-[3-[2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC(C)c1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(=O)(=O)CCc3cc(C(F)(F)F)c4nc(C(C)C)c(-c5cccc(Oc6cccc(S(C)(=O)=O)c6)c5)n4c3)c2)c1
InChIInChI=1S/C49H42F6N4O6S2/c1-29(2)42-44(58-21-10-19-40(46(58)56-42)48(50,51)52)32-11-6-13-34(24-32)65-37-16-9-18-39(27-37)67(62,63)22-20-31-23-41(49(53,54)55)47-57-43(30(3)4)45(59(47)28-31)33-12-7-14-35(25-33)64-36-15-8-17-38(26-36)66(5,60)61/h6-19,21,23-30H,20,22H2,1-5H3
InChIKeyLWWRHWXSSQCALY-UHFFFAOYSA-N
MW961.02 g/mol
LogP12.60
Rot. Bonds13

About 3-[3-(3-methylsulfonylphenoxy)phenyl]-2-propan-2-yl-6-[2-[3-[3-[2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[3-(3-methylsulfonylphenoxy)phenyl]-2-propan-2-yl-6-[2-[3-[3-[2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 143830718) has the molecular formula C49H42F6N4O6S2 and a molecular weight of 961.02 g/mol. Its IUPAC name is 3-[3-(3-methylsulfonylphenoxy)phenyl]-2-propan-2-yl-6-[2-[3-[3-[2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[3-(3-methylsulfonylphenoxy)phenyl]-2-propan-2-yl-6-[2-[3-[3-[2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID143830718
Molecular FormulaC49H42F6N4O6S2
Molecular Weight961.02 g/mol
Exact Mass960.24
IUPAC Name3-[3-(3-methylsulfonylphenoxy)phenyl]-2-propan-2-yl-6-[2-[3-[3-[2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC(C)c1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(=O)(=O)CCc3cc(C(F)(F)F)c4nc(C(C)C)c(-c5cccc(Oc6cccc(S(C)(=O)=O)c6)c5)n4c3)c2)c1
InChIInChI=1S/C49H42F6N4O6S2/c1-29(2)42-44(58-21-10-19-40(46(58)56-42)48(50,51)52)32-11-6-13-34(24-32)65-37-16-9-18-39(27-37)67(62,63)22-20-31-23-41(49(53,54)55)47-57-43(30(3)4)45(59(47)28-31)33-12-7-14-35(25-33)64-36-15-8-17-38(26-36)66(5,60)61/h6-19,21,23-30H,20,22H2,1-5H3
InChIKeyLWWRHWXSSQCALY-UHFFFAOYSA-N
XLogP12.60
TPSA121.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.02
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[3-(3-methylsulfonylphenoxy)phenyl]-2-propan-2-yl-6-[2-[3-[3-[2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-Benzyl-3-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 42641405
2-Isopropyl-3-(3-(3-(methylsulfonyl)benzyloxy)phenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 44136346
2-Isopropyl-8-(trifluoromethyl)-3-(3-(3-(trifluoromethylsulfonyl)phenoxy)phenyl)imidazo[1,2-a]pyridine
CID 44136351
8-Chloro-2-isopropyl-3-(3-(3-(methylsulfonyl)phenoxy)phenyl)imidazo[1,2-a]pyridine
CID 44136477
2-Isopropyl-3-(3-(3-(methylsulfonyl)phenoxy)phenyl)imidazo[1,2-a]pyridine-8-carbonitrile
CID 44136604
2-Tert-butyl-3-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 44136717
3-{3-[3-(Methylsulfonyl)phenoxy]phenyl}-2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 44136969
2-Ethyl-3-(3-((3-(methylsulfonyl)phenoxy)methyl)phenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 44137229
2-Methyl-3-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 44137366
3-(3-(3-(Ethylsulfonyl)phenoxy)phenyl)-2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 44137367
2-Isopropyl-3-(3-(3-(methylsulfonylmethyl)phenoxy)phenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 44137369
3-(3-(3-(2-Methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl)phenoxy)phenylsulfonyl)propan-1-ol
CID 44137503

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylsulfonylphenoxy)phenyl]-2-propan-2-yl-6-[2-[3-[3-[2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[3-(3-methylsulfonylphenoxy)phenyl]-2-propan-2-yl-6-[2-[3-[3-[2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 143830718) is 3-[3-(3-methylsulfonylphenoxy)phenyl]-2-propan-2-yl-6-[2-[3-[3-[2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[3-(3-methylsulfonylphenoxy)phenyl]-2-propan-2-yl-6-[2-[3-[3-[2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[3-(3-methylsulfonylphenoxy)phenyl]-2-propan-2-yl-6-[2-[3-[3-[2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine is CC(C)c1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(=O)(=O)CCc3cc(C(F)(F)F)c4nc(C(C)C)c(-c5cccc(Oc6cccc(S(C)(=O)=O)c6)c5)n4c3)c2)c1.
What is the InChIKey of 3-[3-(3-methylsulfonylphenoxy)phenyl]-2-propan-2-yl-6-[2-[3-[3-[2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is LWWRHWXSSQCALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H42F6N4O6S2/c1-29(2)42-44(58-21-10-19-40(46(58)56-42)48(50,51)52)32-11-6-13-34(24-32)65-37-16-9-18-39(27-37)67(62,63)22-20-31-23-41(49(53,54)55)47-57-43(30(3)4)45(59(47)28-31)33-12-7-14-35(25-33)64-36-15-8-17-38(26-36)66(5,60)61/h6-19,21,23-30H,20,22H2,1-5H3.
What are the key properties of 3-[3-(3-methylsulfonylphenoxy)phenyl]-2-propan-2-yl-6-[2-[3-[3-[2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[3-(3-methylsulfonylphenoxy)phenyl]-2-propan-2-yl-6-[2-[3-[3-[2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 961.02 g/mol, XLogP of 12.60, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methylsulfonylphenoxy)phenyl]-2-propan-2-yl-6-[2-[3-[3-[2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 143830718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).