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

C23H21FN4OS — CID 66546949

IUPACN-(2-fluorophenyl)-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
SMILESCc1cc(C)c(-n2c(SCC(=O)Nc3ccccc3F)nc3cccnc32)c(C)c1
InChIInChI=1S/C23H21FN4OS/c1-14-11-15(2)21(16(3)12-14)28-22-19(9-6-10-25-22)27-23(28)30-13-20(29)26-18-8-5-4-7-17(18)24/h4-12H,13H2,1-3H3,(H,26,29)
InChIKeySWGKLVJIFVASGD-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.22
Rot. Bonds5

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

N-(2-fluorophenyl)-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide (PubChem CID 66546949) has the molecular formula C23H21FN4OS and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
PubChem CID66546949
Molecular FormulaC23H21FN4OS
Molecular Weight420.51 g/mol
Exact Mass420.14
IUPAC NameN-(2-fluorophenyl)-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
SMILESCc1cc(C)c(-n2c(SCC(=O)Nc3ccccc3F)nc3cccnc32)c(C)c1
InChIInChI=1S/C23H21FN4OS/c1-14-11-15(2)21(16(3)12-14)28-22-19(9-6-10-25-22)27-23(28)30-13-20(29)26-18-8-5-4-7-17(18)24/h4-12H,13H2,1-3H3,(H,26,29)
InChIKeySWGKLVJIFVASGD-UHFFFAOYSA-N
XLogP5.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide (CID 66546949) is N-(2-fluorophenyl)-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide is Cc1cc(C)c(-n2c(SCC(=O)Nc3ccccc3F)nc3cccnc32)c(C)c1.
What is the InChIKey of N-(2-fluorophenyl)-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
The InChIKey is SWGKLVJIFVASGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4OS/c1-14-11-15(2)21(16(3)12-14)28-22-19(9-6-10-25-22)27-23(28)30-13-20(29)26-18-8-5-4-7-17(18)24/h4-12H,13H2,1-3H3,(H,26,29).
What are the key properties of N-(2-fluorophenyl)-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
N-(2-fluorophenyl)-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide has a molecular weight of 420.51 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide is sourced from PubChem (CID 66546949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).