N-(1,3-benzodioxol-5-yl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-1-yl]acetamide

C22H17FN4O3S — CID 134151884

IUPACN-(1,3-benzodioxol-5-yl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-1-yl]acetamide
SMILESO=C(Cn1c(SCc2ccc(F)cc2)nc2ncccc21)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C22H17FN4O3S/c23-15-5-3-14(4-6-15)12-31-22-26-21-17(2-1-9-24-21)27(22)11-20(28)25-16-7-8-18-19(10-16)30-13-29-18/h1-10H,11-13H2,(H,25,28)
InChIKeyBIHRLCWFTAPQPP-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.23
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-1-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-1-yl]acetamide (PubChem CID 134151884) has the molecular formula C22H17FN4O3S and a molecular weight of 436.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-1-yl]acetamide
PubChem CID134151884
Molecular FormulaC22H17FN4O3S
Molecular Weight436.47 g/mol
Exact Mass436.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-1-yl]acetamide
SMILESO=C(Cn1c(SCc2ccc(F)cc2)nc2ncccc21)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C22H17FN4O3S/c23-15-5-3-14(4-6-15)12-31-22-26-21-17(2-1-9-24-21)27(22)11-20(28)25-16-7-8-18-19(10-16)30-13-29-18/h1-10H,11-13H2,(H,25,28)
InChIKeyBIHRLCWFTAPQPP-UHFFFAOYSA-N
XLogP4.23
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-1-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-1-yl]acetamide (CID 134151884) is N-(1,3-benzodioxol-5-yl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-1-yl]acetamide is O=C(Cn1c(SCc2ccc(F)cc2)nc2ncccc21)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-1-yl]acetamide?
The InChIKey is BIHRLCWFTAPQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3S/c23-15-5-3-14(4-6-15)12-31-22-26-21-17(2-1-9-24-21)27(22)11-20(28)25-16-7-8-18-19(10-16)30-13-29-18/h1-10H,11-13H2,(H,25,28).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-1-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-1-yl]acetamide has a molecular weight of 436.47 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 134151884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).