ethane;2-(2-methoxyphenyl)-3-[4-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(3-methylsulfonylphenoxy)phenyl]-2,8-bis(trifluoromethyl)imidazo[1,2-a]pyridine

C52H41F9N4O7S2 — CID 143830723

IUPACethane;2-(2-methoxyphenyl)-3-[4-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(3-methylsulfonylphenoxy)phenyl]-2,8-bis(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC.COc1ccccc1-c1nc2c(C(F)(F)F)cccn2c1-c1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1.CS(=O)(=O)c1cccc(Oc2ccc(-c3c(C(F)(F)F)nc4c(C(F)(F)F)cccn34)cc2)c1
InChIInChI=1S/C28H21F3N2O4S.C22H14F6N2O3S.C2H6/c1-36-24-11-4-3-9-22(24)25-26(33-16-6-10-23(27(33)32-25)28(29,30)31)18-12-14-19(15-13-18)37-20-7-5-8-21(17-20)38(2,34)35;1-34(31,32)16-5-2-4-15(12-16)33-14-9-7-13(8-10-14)18-19(22(26,27)28)29-20-17(21(23,24)25)6-3-11-30(18)20;1-2/h3-17H,1-2H3;2-12H,1H3;1-2H3
InChIKeyMABLWDQPQLUNPJ-UHFFFAOYSA-N
MW1069.04 g/mol
LogP14.15
Rot. Bonds10

About ethane;2-(2-methoxyphenyl)-3-[4-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(3-methylsulfonylphenoxy)phenyl]-2,8-bis(trifluoromethyl)imidazo[1,2-a]pyridine

ethane;2-(2-methoxyphenyl)-3-[4-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(3-methylsulfonylphenoxy)phenyl]-2,8-bis(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 143830723) has the molecular formula C52H41F9N4O7S2 and a molecular weight of 1069.04 g/mol. Its IUPAC name is ethane;2-(2-methoxyphenyl)-3-[4-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(3-methylsulfonylphenoxy)phenyl]-2,8-bis(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Nameethane;2-(2-methoxyphenyl)-3-[4-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(3-methylsulfonylphenoxy)phenyl]-2,8-bis(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID143830723
Molecular FormulaC52H41F9N4O7S2
Molecular Weight1069.04 g/mol
Exact Mass1068.23
IUPAC Nameethane;2-(2-methoxyphenyl)-3-[4-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(3-methylsulfonylphenoxy)phenyl]-2,8-bis(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC.COc1ccccc1-c1nc2c(C(F)(F)F)cccn2c1-c1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1.CS(=O)(=O)c1cccc(Oc2ccc(-c3c(C(F)(F)F)nc4c(C(F)(F)F)cccn34)cc2)c1
InChIInChI=1S/C28H21F3N2O4S.C22H14F6N2O3S.C2H6/c1-36-24-11-4-3-9-22(24)25-26(33-16-6-10-23(27(33)32-25)28(29,30)31)18-12-14-19(15-13-18)37-20-7-5-8-21(17-20)38(2,34)35;1-34(31,32)16-5-2-4-15(12-16)33-14-9-7-13(8-10-14)18-19(22(26,27)28)29-20-17(21(23,24)25)6-3-11-30(18)20;1-2/h3-17H,1-2H3;2-12H,1H3;1-2H3
InChIKeyMABLWDQPQLUNPJ-UHFFFAOYSA-N
XLogP14.15
TPSA130.57 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001069.04
LogP ≤ 514.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze ethane;2-(2-methoxyphenyl)-3-[4-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(3-methylsulfonylphenoxy)phenyl]-2,8-bis(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
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
2-Ethyl-3-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 44137636

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methoxyphenyl)-3-[4-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(3-methylsulfonylphenoxy)phenyl]-2,8-bis(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of ethane;2-(2-methoxyphenyl)-3-[4-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(3-methylsulfonylphenoxy)phenyl]-2,8-bis(trifluoromethyl)imidazo[1,2-a]pyridine (CID 143830723) is ethane;2-(2-methoxyphenyl)-3-[4-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(3-methylsulfonylphenoxy)phenyl]-2,8-bis(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for ethane;2-(2-methoxyphenyl)-3-[4-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(3-methylsulfonylphenoxy)phenyl]-2,8-bis(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for ethane;2-(2-methoxyphenyl)-3-[4-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(3-methylsulfonylphenoxy)phenyl]-2,8-bis(trifluoromethyl)imidazo[1,2-a]pyridine is CC.COc1ccccc1-c1nc2c(C(F)(F)F)cccn2c1-c1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1.CS(=O)(=O)c1cccc(Oc2ccc(-c3c(C(F)(F)F)nc4c(C(F)(F)F)cccn34)cc2)c1.
What is the InChIKey of ethane;2-(2-methoxyphenyl)-3-[4-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(3-methylsulfonylphenoxy)phenyl]-2,8-bis(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is MABLWDQPQLUNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N2O4S.C22H14F6N2O3S.C2H6/c1-36-24-11-4-3-9-22(24)25-26(33-16-6-10-23(27(33)32-25)28(29,30)31)18-12-14-19(15-13-18)37-20-7-5-8-21(17-20)38(2,34)35;1-34(31,32)16-5-2-4-15(12-16)33-14-9-7-13(8-10-14)18-19(22(26,27)28)29-20-17(21(23,24)25)6-3-11-30(18)20;1-2/h3-17H,1-2H3;2-12H,1H3;1-2H3.
What are the key properties of ethane;2-(2-methoxyphenyl)-3-[4-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(3-methylsulfonylphenoxy)phenyl]-2,8-bis(trifluoromethyl)imidazo[1,2-a]pyridine?
ethane;2-(2-methoxyphenyl)-3-[4-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(3-methylsulfonylphenoxy)phenyl]-2,8-bis(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 1069.04 g/mol, XLogP of 14.15, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methoxyphenyl)-3-[4-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-(3-methylsulfonylphenoxy)phenyl]-2,8-bis(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 143830723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).