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

C45H34F6N4O6S2 — CID 143830711

IUPAC2-methyl-3-[3-(3-methylsulfonylphenoxy)phenyl]-6-[2-[3-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCc1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(=O)(=O)CCc3cc(C(F)(F)F)c4nc(C)c(-c5cccc(Oc6cccc(S(C)(=O)=O)c6)c5)n4c3)c2)c1
InChIInChI=1S/C45H34F6N4O6S2/c1-27-40(54-19-8-17-38(42(54)52-27)44(46,47)48)30-9-4-11-32(22-30)61-35-14-7-16-37(25-35)63(58,59)20-18-29-21-39(45(49,50)51)43-53-28(2)41(55(43)26-29)31-10-5-12-33(23-31)60-34-13-6-15-36(24-34)62(3,56)57/h4-17,19,21-26H,18,20H2,1-3H3
InChIKeyFIZWBDGRLDMGSL-UHFFFAOYSA-N
MW904.91 g/mol
LogP10.97
Rot. Bonds11

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

2-methyl-3-[3-(3-methylsulfonylphenoxy)phenyl]-6-[2-[3-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 143830711) has the molecular formula C45H34F6N4O6S2 and a molecular weight of 904.91 g/mol. Its IUPAC name is 2-methyl-3-[3-(3-methylsulfonylphenoxy)phenyl]-6-[2-[3-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-methyl-3-[3-(3-methylsulfonylphenoxy)phenyl]-6-[2-[3-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID143830711
Molecular FormulaC45H34F6N4O6S2
Molecular Weight904.91 g/mol
Exact Mass904.18
IUPAC Name2-methyl-3-[3-(3-methylsulfonylphenoxy)phenyl]-6-[2-[3-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCc1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(=O)(=O)CCc3cc(C(F)(F)F)c4nc(C)c(-c5cccc(Oc6cccc(S(C)(=O)=O)c6)c5)n4c3)c2)c1
InChIInChI=1S/C45H34F6N4O6S2/c1-27-40(54-19-8-17-38(42(54)52-27)44(46,47)48)30-9-4-11-32(22-30)61-35-14-7-16-37(25-35)63(58,59)20-18-29-21-39(45(49,50)51)43-53-28(2)41(55(43)26-29)31-10-5-12-33(23-31)60-34-13-6-15-36(24-34)62(3,56)57/h4-17,19,21-26H,18,20H2,1-3H3
InChIKeyFIZWBDGRLDMGSL-UHFFFAOYSA-N
XLogP10.97
TPSA121.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.91
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-methyl-3-[3-(3-methylsulfonylphenoxy)phenyl]-6-[2-[3-[3-[2-methyl-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 2-methyl-3-[3-(3-methylsulfonylphenoxy)phenyl]-6-[2-[3-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-methyl-3-[3-(3-methylsulfonylphenoxy)phenyl]-6-[2-[3-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 143830711) is 2-methyl-3-[3-(3-methylsulfonylphenoxy)phenyl]-6-[2-[3-[3-[2-methyl-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 2-methyl-3-[3-(3-methylsulfonylphenoxy)phenyl]-6-[2-[3-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-methyl-3-[3-(3-methylsulfonylphenoxy)phenyl]-6-[2-[3-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine is Cc1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(=O)(=O)CCc3cc(C(F)(F)F)c4nc(C)c(-c5cccc(Oc6cccc(S(C)(=O)=O)c6)c5)n4c3)c2)c1.
What is the InChIKey of 2-methyl-3-[3-(3-methylsulfonylphenoxy)phenyl]-6-[2-[3-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is FIZWBDGRLDMGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34F6N4O6S2/c1-27-40(54-19-8-17-38(42(54)52-27)44(46,47)48)30-9-4-11-32(22-30)61-35-14-7-16-37(25-35)63(58,59)20-18-29-21-39(45(49,50)51)43-53-28(2)41(55(43)26-29)31-10-5-12-33(23-31)60-34-13-6-15-36(24-34)62(3,56)57/h4-17,19,21-26H,18,20H2,1-3H3.
What are the key properties of 2-methyl-3-[3-(3-methylsulfonylphenoxy)phenyl]-6-[2-[3-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
2-methyl-3-[3-(3-methylsulfonylphenoxy)phenyl]-6-[2-[3-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 904.91 g/mol, XLogP of 10.97, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(3-methylsulfonylphenoxy)phenyl]-6-[2-[3-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 143830711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).