3-[3-(4-butan-2-ylsulfonylphenoxy)phenyl]-6-[[3-fluoro-5-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylmethyl]-2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine

C47H37F7N4O6S2 — CID 143830709

IUPAC3-[3-(4-butan-2-ylsulfonylphenoxy)phenyl]-6-[[3-fluoro-5-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylmethyl]-2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCCC(C)S(=O)(=O)c1ccc(Oc2cccc(-c3c(C)nc4c(C(F)(F)F)cc(CS(=O)(=O)c5cc(F)cc(Oc6cccc(-c7c(C)nc8c(C(F)(F)F)cccn78)c6)c5)cn34)c2)cc1
InChIInChI=1S/C47H37F7N4O6S2/c1-5-27(2)66(61,62)38-16-14-34(15-17-38)63-35-11-7-10-32(21-35)43-29(4)56-45-41(47(52,53)54)19-30(25-58(43)45)26-65(59,60)39-23-33(48)22-37(24-39)64-36-12-6-9-31(20-36)42-28(3)55-44-40(46(49,50)51)13-8-18-57(42)44/h6-25,27H,5,26H2,1-4H3
InChIKeyFVUYXBHAZRSKNN-UHFFFAOYSA-N
MW950.95 g/mol
LogP12.24
Rot. Bonds12

About 3-[3-(4-butan-2-ylsulfonylphenoxy)phenyl]-6-[[3-fluoro-5-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylmethyl]-2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[3-(4-butan-2-ylsulfonylphenoxy)phenyl]-6-[[3-fluoro-5-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylmethyl]-2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 143830709) has the molecular formula C47H37F7N4O6S2 and a molecular weight of 950.95 g/mol. Its IUPAC name is 3-[3-(4-butan-2-ylsulfonylphenoxy)phenyl]-6-[[3-fluoro-5-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylmethyl]-2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[3-(4-butan-2-ylsulfonylphenoxy)phenyl]-6-[[3-fluoro-5-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylmethyl]-2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID143830709
Molecular FormulaC47H37F7N4O6S2
Molecular Weight950.95 g/mol
Exact Mass950.20
IUPAC Name3-[3-(4-butan-2-ylsulfonylphenoxy)phenyl]-6-[[3-fluoro-5-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylmethyl]-2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCCC(C)S(=O)(=O)c1ccc(Oc2cccc(-c3c(C)nc4c(C(F)(F)F)cc(CS(=O)(=O)c5cc(F)cc(Oc6cccc(-c7c(C)nc8c(C(F)(F)F)cccn78)c6)c5)cn34)c2)cc1
InChIInChI=1S/C47H37F7N4O6S2/c1-5-27(2)66(61,62)38-16-14-34(15-17-38)63-35-11-7-10-32(21-35)43-29(4)56-45-41(47(52,53)54)19-30(25-58(43)45)26-65(59,60)39-23-33(48)22-37(24-39)64-36-12-6-9-31(20-36)42-28(3)55-44-40(46(49,50)51)13-8-18-57(42)44/h6-25,27H,5,26H2,1-4H3
InChIKeyFVUYXBHAZRSKNN-UHFFFAOYSA-N
XLogP12.24
TPSA121.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.95
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[3-(4-butan-2-ylsulfonylphenoxy)phenyl]-6-[[3-fluoro-5-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylmethyl]-2-methyl-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
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 3-[3-(4-butan-2-ylsulfonylphenoxy)phenyl]-6-[[3-fluoro-5-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylmethyl]-2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[3-(4-butan-2-ylsulfonylphenoxy)phenyl]-6-[[3-fluoro-5-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylmethyl]-2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 143830709) is 3-[3-(4-butan-2-ylsulfonylphenoxy)phenyl]-6-[[3-fluoro-5-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylmethyl]-2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[3-(4-butan-2-ylsulfonylphenoxy)phenyl]-6-[[3-fluoro-5-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylmethyl]-2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[3-(4-butan-2-ylsulfonylphenoxy)phenyl]-6-[[3-fluoro-5-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylmethyl]-2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine is CCC(C)S(=O)(=O)c1ccc(Oc2cccc(-c3c(C)nc4c(C(F)(F)F)cc(CS(=O)(=O)c5cc(F)cc(Oc6cccc(-c7c(C)nc8c(C(F)(F)F)cccn78)c6)c5)cn34)c2)cc1.
What is the InChIKey of 3-[3-(4-butan-2-ylsulfonylphenoxy)phenyl]-6-[[3-fluoro-5-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylmethyl]-2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is FVUYXBHAZRSKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H37F7N4O6S2/c1-5-27(2)66(61,62)38-16-14-34(15-17-38)63-35-11-7-10-32(21-35)43-29(4)56-45-41(47(52,53)54)19-30(25-58(43)45)26-65(59,60)39-23-33(48)22-37(24-39)64-36-12-6-9-31(20-36)42-28(3)55-44-40(46(49,50)51)13-8-18-57(42)44/h6-25,27H,5,26H2,1-4H3.
What are the key properties of 3-[3-(4-butan-2-ylsulfonylphenoxy)phenyl]-6-[[3-fluoro-5-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylmethyl]-2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[3-(4-butan-2-ylsulfonylphenoxy)phenyl]-6-[[3-fluoro-5-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylmethyl]-2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 950.95 g/mol, XLogP of 12.24, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-butan-2-ylsulfonylphenoxy)phenyl]-6-[[3-fluoro-5-[3-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]phenyl]sulfonylmethyl]-2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 143830709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).