N-ethyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide

C23H21FN4OS — CID 20908422

IUPACN-ethyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide
SMILESCCNC(=O)c1ccc(Cn2c(SCc3cccc(F)c3)nc3cccnc32)cc1
InChIInChI=1S/C23H21FN4OS/c1-2-25-22(29)18-10-8-16(9-11-18)14-28-21-20(7-4-12-26-21)27-23(28)30-15-17-5-3-6-19(24)13-17/h3-13H,2,14-15H2,1H3,(H,25,29)
InChIKeyQUWFIHRPFUFRPL-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.66
Rot. Bonds7

About N-ethyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide

N-ethyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide (PubChem CID 20908422) has the molecular formula C23H21FN4OS and a molecular weight of 420.51 g/mol. Its IUPAC name is N-ethyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide
PubChem CID20908422
Molecular FormulaC23H21FN4OS
Molecular Weight420.51 g/mol
Exact Mass420.14
IUPAC NameN-ethyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide
SMILESCCNC(=O)c1ccc(Cn2c(SCc3cccc(F)c3)nc3cccnc32)cc1
InChIInChI=1S/C23H21FN4OS/c1-2-25-22(29)18-10-8-16(9-11-18)14-28-21-20(7-4-12-26-21)27-23(28)30-15-17-5-3-6-19(24)13-17/h3-13H,2,14-15H2,1H3,(H,25,29)
InChIKeyQUWFIHRPFUFRPL-UHFFFAOYSA-N
XLogP4.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide?
The IUPAC name of N-ethyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide (CID 20908422) is N-ethyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide.
What is the SMILES notation for N-ethyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide?
The canonical SMILES for N-ethyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide is CCNC(=O)c1ccc(Cn2c(SCc3cccc(F)c3)nc3cccnc32)cc1.
What is the InChIKey of N-ethyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide?
The InChIKey is QUWFIHRPFUFRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4OS/c1-2-25-22(29)18-10-8-16(9-11-18)14-28-21-20(7-4-12-26-21)27-23(28)30-15-17-5-3-6-19(24)13-17/h3-13H,2,14-15H2,1H3,(H,25,29).
What are the key properties of N-ethyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide?
N-ethyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide has a molecular weight of 420.51 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide is sourced from PubChem (CID 20908422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).