2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide

C24H23FN4OS — CID 20908648

IUPAC2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2c(SCc3cccc(F)c3)nc3cccnc32)c(C)c1
InChIInChI=1S/C24H23FN4OS/c1-15-10-16(2)22(17(3)11-15)28-21(30)13-29-23-20(8-5-9-26-23)27-24(29)31-14-18-6-4-7-19(25)12-18/h4-12H,13-14H2,1-3H3,(H,28,30)
InChIKeyKZEIMUYULGOHCO-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.43
Rot. Bonds6

About 2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 20908648) has the molecular formula C24H23FN4OS and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID20908648
Molecular FormulaC24H23FN4OS
Molecular Weight434.54 g/mol
Exact Mass434.16
IUPAC Name2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2c(SCc3cccc(F)c3)nc3cccnc32)c(C)c1
InChIInChI=1S/C24H23FN4OS/c1-15-10-16(2)22(17(3)11-15)28-21(30)13-29-23-20(8-5-9-26-23)27-24(29)31-14-18-6-4-7-19(25)12-18/h4-12H,13-14H2,1-3H3,(H,28,30)
InChIKeyKZEIMUYULGOHCO-UHFFFAOYSA-N
XLogP5.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide with MolForge

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908585
N-(3-ethylphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908581
(2R)-N-(2,6-dimethylphenyl)-2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
CID 92689297
N-(2-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908533
N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908721
N-[2-(trifluoromethyl)phenyl]-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908717
2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20908548
N-ethyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide
CID 20908422
4-[[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 20908305
N-(3-fluorophenyl)-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890530
2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)butanamide
CID 20908611
4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-(3-methoxypropyl)benzamide
CID 46275474

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 20908648) is 2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)Cn2c(SCc3cccc(F)c3)nc3cccnc32)c(C)c1.
What is the InChIKey of 2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is KZEIMUYULGOHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4OS/c1-15-10-16(2)22(17(3)11-15)28-21(30)13-29-23-20(8-5-9-26-23)27-24(29)31-14-18-6-4-7-19(25)12-18/h4-12H,13-14H2,1-3H3,(H,28,30).
What are the key properties of 2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 434.54 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 20908648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).