4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-(3-methylphenyl)-1,3-oxazole

C25H21FN4OS — CID 20890783

IUPAC4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-(3-methylphenyl)-1,3-oxazole
SMILESCc1cccc(-c2nc(Cn3c(SCc4ccccc4F)nc4ccncc43)c(C)o2)c1
InChIInChI=1S/C25H21FN4OS/c1-16-6-5-8-18(12-16)24-28-22(17(2)31-24)14-30-23-13-27-11-10-21(23)29-25(30)32-15-19-7-3-4-9-20(19)26/h3-13H,14-15H2,1-2H3
InChIKeyQXVWNGRLRLPLEN-UHFFFAOYSA-N
MW444.54 g/mol
LogP6.18
Rot. Bonds6

About 4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-(3-methylphenyl)-1,3-oxazole

4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-(3-methylphenyl)-1,3-oxazole (PubChem CID 20890783) has the molecular formula C25H21FN4OS and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-(3-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-(3-methylphenyl)-1,3-oxazole
PubChem CID20890783
Molecular FormulaC25H21FN4OS
Molecular Weight444.54 g/mol
Exact Mass444.14
IUPAC Name4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-(3-methylphenyl)-1,3-oxazole
SMILESCc1cccc(-c2nc(Cn3c(SCc4ccccc4F)nc4ccncc43)c(C)o2)c1
InChIInChI=1S/C25H21FN4OS/c1-16-6-5-8-18(12-16)24-28-22(17(2)31-24)14-30-23-13-27-11-10-21(23)29-25(30)32-15-19-7-3-4-9-20(19)26/h3-13H,14-15H2,1-2H3
InChIKeyQXVWNGRLRLPLEN-UHFFFAOYSA-N
XLogP6.18
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 20890929
2-(3-chlorophenyl)-4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole
CID 20890731
3-[(3-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
CID 20890837
2-(4-methoxyphenyl)-5-methyl-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-1,3-oxazole
CID 20890541
2-[(2-methylphenyl)methylsulfanyl]-3-[(2,4,6-trimethylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890865
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(2,5-dimethylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890946
2-[(3-chlorophenyl)methylsulfanyl]-3-[(3-methylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890877
2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890588
3-[(3-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
CID 20890697
N-[4-(dimethylamino)phenyl]-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890789
3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine
CID 20886912
N-(3,5-dimethoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890807

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-(3-methylphenyl)-1,3-oxazole?
The IUPAC name of 4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-(3-methylphenyl)-1,3-oxazole (CID 20890783) is 4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-(3-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-(3-methylphenyl)-1,3-oxazole?
The canonical SMILES for 4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-(3-methylphenyl)-1,3-oxazole is Cc1cccc(-c2nc(Cn3c(SCc4ccccc4F)nc4ccncc43)c(C)o2)c1.
What is the InChIKey of 4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-(3-methylphenyl)-1,3-oxazole?
The InChIKey is QXVWNGRLRLPLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4OS/c1-16-6-5-8-18(12-16)24-28-22(17(2)31-24)14-30-23-13-27-11-10-21(23)29-25(30)32-15-19-7-3-4-9-20(19)26/h3-13H,14-15H2,1-2H3.
What are the key properties of 4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-(3-methylphenyl)-1,3-oxazole?
4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-(3-methylphenyl)-1,3-oxazole has a molecular weight of 444.54 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-(3-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 20890783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).