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

C24H18ClFN4OS — CID 20890579

IUPAC2-(2-chlorophenyl)-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2Cl)nc1Cn1c(SCc2cccc(F)c2)nc2ccncc21
InChIInChI=1S/C24H18ClFN4OS/c1-15-21(28-23(31-15)18-7-2-3-8-19(18)25)13-30-22-12-27-10-9-20(22)29-24(30)32-14-16-5-4-6-17(26)11-16/h2-12H,13-14H2,1H3
InChIKeyHYHHCECREGPPNE-UHFFFAOYSA-N
MW464.95 g/mol
LogP6.53
Rot. Bonds6

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

2-(2-chlorophenyl)-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 20890579) has the molecular formula C24H18ClFN4OS and a molecular weight of 464.95 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID20890579
Molecular FormulaC24H18ClFN4OS
Molecular Weight464.95 g/mol
Exact Mass464.09
IUPAC Name2-(2-chlorophenyl)-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2Cl)nc1Cn1c(SCc2cccc(F)c2)nc2ccncc21
InChIInChI=1S/C24H18ClFN4OS/c1-15-21(28-23(31-15)18-7-2-3-8-19(18)25)13-30-22-12-27-10-9-20(22)29-24(30)32-14-16-5-4-6-17(26)11-16/h2-12H,13-14H2,1H3
InChIKeyHYHHCECREGPPNE-UHFFFAOYSA-N
XLogP6.53
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.95
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-(2-chlorophenyl)-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole (CID 20890579) is 2-(2-chlorophenyl)-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(2-chlorophenyl)-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole is Cc1oc(-c2ccccc2Cl)nc1Cn1c(SCc2cccc(F)c2)nc2ccncc21.
What is the InChIKey of 2-(2-chlorophenyl)-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is HYHHCECREGPPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4OS/c1-15-21(28-23(31-15)18-7-2-3-8-19(18)25)13-30-22-12-27-10-9-20(22)29-24(30)32-14-16-5-4-6-17(26)11-16/h2-12H,13-14H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole?
2-(2-chlorophenyl)-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 464.95 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 20890579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).