4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole

C25H20ClFN4O2S — CID 20890929

IUPAC4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cn3c(SCc4c(F)cccc4Cl)nc4ccncc43)c(C)o2)cc1
InChIInChI=1S/C25H20ClFN4O2S/c1-15-22(29-24(33-15)16-6-8-17(32-2)9-7-16)13-31-23-12-28-11-10-21(23)30-25(31)34-14-18-19(26)4-3-5-20(18)27/h3-12H,13-14H2,1-2H3
InChIKeyGGTHBCICJLMZLH-UHFFFAOYSA-N
MW494.98 g/mol
LogP6.54
Rot. Bonds7

About 4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole

4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole (PubChem CID 20890929) has the molecular formula C25H20ClFN4O2S and a molecular weight of 494.98 g/mol. Its IUPAC name is 4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
PubChem CID20890929
Molecular FormulaC25H20ClFN4O2S
Molecular Weight494.98 g/mol
Exact Mass494.10
IUPAC Name4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cn3c(SCc4c(F)cccc4Cl)nc4ccncc43)c(C)o2)cc1
InChIInChI=1S/C25H20ClFN4O2S/c1-15-22(29-24(33-15)16-6-8-17(32-2)9-7-16)13-31-23-12-28-11-10-21(23)30-25(31)34-14-18-19(26)4-3-5-20(18)27/h3-12H,13-14H2,1-2H3
InChIKeyGGTHBCICJLMZLH-UHFFFAOYSA-N
XLogP6.54
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.98
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole with MolForge

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Related Compounds

2-(4-methoxyphenyl)-5-methyl-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-1,3-oxazole
CID 20890541
2-(3-chlorophenyl)-4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole
CID 20890731
3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine
CID 20886912
4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 20890783
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(2,5-dimethylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890946
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 2281056
2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890588
3-[(4-methoxyphenyl)methyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]quinazolin-4-one
CID 46297619
4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 20890471
N-(3-chloro-2-methylphenyl)-2-[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890754
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-(3-methylphenyl)-1,2,4-triazole
CID 42799445
3-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine
CID 20890667

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole?
The IUPAC name of 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) is 4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole is COc1ccc(-c2nc(Cn3c(SCc4c(F)cccc4Cl)nc4ccncc43)c(C)o2)cc1.
What is the InChIKey of 4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole?
The InChIKey is GGTHBCICJLMZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN4O2S/c1-15-22(29-24(33-15)16-6-8-17(32-2)9-7-16)13-31-23-12-28-11-10-21(23)30-25(31)34-14-18-19(26)4-3-5-20(18)27/h3-12H,13-14H2,1-2H3.
What are the key properties of 4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole?
4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole has a molecular weight of 494.98 g/mol, XLogP of 6.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 20890929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).