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

C25H21ClN4O2S — CID 20890731

IUPAC2-(3-chlorophenyl)-4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole
SMILESCOc1cccc(CSc2nc3ccncc3n2Cc2nc(-c3cccc(Cl)c3)oc2C)c1
InChIInChI=1S/C25H21ClN4O2S/c1-16-22(28-24(32-16)18-6-4-7-19(26)12-18)14-30-23-13-27-10-9-21(23)29-25(30)33-15-17-5-3-8-20(11-17)31-2/h3-13H,14-15H2,1-2H3
InChIKeyLANYKFVAWXEABO-UHFFFAOYSA-N
MW476.99 g/mol
LogP6.40
Rot. Bonds7

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

2-(3-chlorophenyl)-4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 20890731) has the molecular formula C25H21ClN4O2S and a molecular weight of 476.99 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID20890731
Molecular FormulaC25H21ClN4O2S
Molecular Weight476.99 g/mol
Exact Mass476.11
IUPAC Name2-(3-chlorophenyl)-4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole
SMILESCOc1cccc(CSc2nc3ccncc3n2Cc2nc(-c3cccc(Cl)c3)oc2C)c1
InChIInChI=1S/C25H21ClN4O2S/c1-16-22(28-24(32-16)18-6-4-7-19(26)12-18)14-30-23-13-27-10-9-21(23)29-25(30)33-15-17-5-3-8-20(11-17)31-2/h3-13H,14-15H2,1-2H3
InChIKeyLANYKFVAWXEABO-UHFFFAOYSA-N
XLogP6.40
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.99
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
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)methylsulfanyl]-3-[(3-methylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890877
4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 20890783
4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-propylbenzamide
CID 20887210
2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide
CID 20890728
3-[(3-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
CID 20890697
2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890588
4-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide
CID 20891082
2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20890880
4-[[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(4-ethoxyphenyl)benzamide
CID 46288227
N-(furan-2-ylmethyl)-4-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 20891081

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-(3-chlorophenyl)-4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole (CID 20890731) is 2-(3-chlorophenyl)-4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(3-chlorophenyl)-4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(3-chlorophenyl)-4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole is COc1cccc(CSc2nc3ccncc3n2Cc2nc(-c3cccc(Cl)c3)oc2C)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is LANYKFVAWXEABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O2S/c1-16-22(28-24(32-16)18-6-4-7-19(26)12-18)14-30-23-13-27-10-9-21(23)29-25(30)33-15-17-5-3-8-20(11-17)31-2/h3-13H,14-15H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole?
2-(3-chlorophenyl)-4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 476.99 g/mol, XLogP of 6.40, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 20890731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).