7-[(4-ethoxy-3-ethylphenyl)sulfanylmethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine

C25H24F3N3OS — CID 142923082

IUPAC7-[(4-ethoxy-3-ethylphenyl)sulfanylmethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
SMILESCCOc1ccc(SCc2ccnc3c2nc(-c2ccc(C(F)(F)F)cc2)n3C)cc1CC
InChIInChI=1S/C25H24F3N3OS/c1-4-16-14-20(10-11-21(16)32-5-2)33-15-18-12-13-29-24-22(18)30-23(31(24)3)17-6-8-19(9-7-17)25(26,27)28/h6-14H,4-5,15H2,1-3H3
InChIKeyHNKWUPMZFNFINJ-UHFFFAOYSA-N
MW471.55 g/mol
LogP6.91
Rot. Bonds7

About 7-[(4-ethoxy-3-ethylphenyl)sulfanylmethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine

7-[(4-ethoxy-3-ethylphenyl)sulfanylmethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine (PubChem CID 142923082) has the molecular formula C25H24F3N3OS and a molecular weight of 471.55 g/mol. Its IUPAC name is 7-[(4-ethoxy-3-ethylphenyl)sulfanylmethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-[(4-ethoxy-3-ethylphenyl)sulfanylmethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
PubChem CID142923082
Molecular FormulaC25H24F3N3OS
Molecular Weight471.55 g/mol
Exact Mass471.16
IUPAC Name7-[(4-ethoxy-3-ethylphenyl)sulfanylmethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
SMILESCCOc1ccc(SCc2ccnc3c2nc(-c2ccc(C(F)(F)F)cc2)n3C)cc1CC
InChIInChI=1S/C25H24F3N3OS/c1-4-16-14-20(10-11-21(16)32-5-2)33-15-18-12-13-29-24-22(18)30-23(31(24)3)17-6-8-19(9-7-17)25(26,27)28/h6-14H,4-5,15H2,1-3H3
InChIKeyHNKWUPMZFNFINJ-UHFFFAOYSA-N
XLogP6.91
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.55
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[(4-ethoxy-3-ethylphenyl)sulfanylmethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine with MolForge

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Related Compounds

3-[2-methyl-4-[[3-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-7-yl]methylsulfanyl]phenyl]propanoic acid
CID 59732649
2-[5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-7-yl]methylsulfanyl]-1-benzothiophen-3-yl]acetic acid
CID 57432068
2-[2-ethyl-4-[[2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-7-yl]methylsulfanyl]phenoxy]acetic acid
CID 10051171
2-[2-ethyl-4-[[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-yl]methylsulfanyl]phenoxy]acetic acid
CID 10480599
6-[(4-ethoxy-3-methylphenyl)sulfanylmethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 142923154
ethyl 2-[2-ethyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]propanoate
CID 162535274
2-[4-[[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]methylsulfanyl]-2-methylphenoxy]acetic acid
CID 10411464
butane;2-[2-methyl-4-[[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methylsulfanyl]phenoxy]acetic acid
CID 142844394
2-[4-[[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]methylsulfanyl]-2-methylphenoxy]acetic acid
CID 88941524
ethyl 5-iodo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylate
CID 135222439
2-[2-methyl-4-[[2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-7-yl]methylsulfanyl]phenoxy]acetic acid
CID 57432011
ethyl 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetate
CID 11525877

Frequently Asked Questions

What is the IUPAC name of 7-[(4-ethoxy-3-ethylphenyl)sulfanylmethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine?
The IUPAC name of 7-[(4-ethoxy-3-ethylphenyl)sulfanylmethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine (CID 142923082) is 7-[(4-ethoxy-3-ethylphenyl)sulfanylmethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-[(4-ethoxy-3-ethylphenyl)sulfanylmethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 7-[(4-ethoxy-3-ethylphenyl)sulfanylmethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine is CCOc1ccc(SCc2ccnc3c2nc(-c2ccc(C(F)(F)F)cc2)n3C)cc1CC.
What is the InChIKey of 7-[(4-ethoxy-3-ethylphenyl)sulfanylmethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine?
The InChIKey is HNKWUPMZFNFINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3OS/c1-4-16-14-20(10-11-21(16)32-5-2)33-15-18-12-13-29-24-22(18)30-23(31(24)3)17-6-8-19(9-7-17)25(26,27)28/h6-14H,4-5,15H2,1-3H3.
What are the key properties of 7-[(4-ethoxy-3-ethylphenyl)sulfanylmethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine?
7-[(4-ethoxy-3-ethylphenyl)sulfanylmethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine has a molecular weight of 471.55 g/mol, XLogP of 6.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-ethoxy-3-ethylphenyl)sulfanylmethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 142923082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).