4-[[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-[1-(furan-2-yl)propan-2-yl]benzamide

C28H25FN4O2S — CID 20887377

IUPAC4-[[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-[1-(furan-2-yl)propan-2-yl]benzamide
SMILESCC(Cc1ccco1)NC(=O)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1
InChIInChI=1S/C28H25FN4O2S/c1-19(16-24-4-3-15-35-24)31-27(34)22-10-6-20(7-11-22)17-33-26-25(5-2-14-30-26)32-28(33)36-18-21-8-12-23(29)13-9-21/h2-15,19H,16-18H2,1H3,(H,31,34)
InChIKeyWNOYJIARICXPJU-UHFFFAOYSA-N
MW500.60 g/mol
LogP5.86
Rot. Bonds9

About 4-[[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-[1-(furan-2-yl)propan-2-yl]benzamide

4-[[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-[1-(furan-2-yl)propan-2-yl]benzamide (PubChem CID 20887377) has the molecular formula C28H25FN4O2S and a molecular weight of 500.60 g/mol. Its IUPAC name is 4-[[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-[1-(furan-2-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-[[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-[1-(furan-2-yl)propan-2-yl]benzamide
PubChem CID20887377
Molecular FormulaC28H25FN4O2S
Molecular Weight500.60 g/mol
Exact Mass500.17
IUPAC Name4-[[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-[1-(furan-2-yl)propan-2-yl]benzamide
SMILESCC(Cc1ccco1)NC(=O)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1
InChIInChI=1S/C28H25FN4O2S/c1-19(16-24-4-3-15-35-24)31-27(34)22-10-6-20(7-11-22)17-33-26-25(5-2-14-30-26)32-28(33)36-18-21-8-12-23(29)13-9-21/h2-15,19H,16-18H2,1H3,(H,31,34)
InChIKeyWNOYJIARICXPJU-UHFFFAOYSA-N
XLogP5.86
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-[1-(furan-2-yl)propan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(3-methylbutyl)benzamide
CID 20908297
4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 20908295
4-[[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
CID 20887383
N-ethyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide
CID 20908422
4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 20887418
4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide
CID 20891065
4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide
CID 20908340
4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzoic acid
CID 53213141
4-[[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 20908305
4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-(3-methoxypropyl)benzamide
CID 46275474
4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92742225
4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 20908363

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-[1-(furan-2-yl)propan-2-yl]benzamide?
The IUPAC name of 4-[[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-[1-(furan-2-yl)propan-2-yl]benzamide (CID 20887377) is 4-[[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-[1-(furan-2-yl)propan-2-yl]benzamide.
What is the SMILES notation for 4-[[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-[1-(furan-2-yl)propan-2-yl]benzamide?
The canonical SMILES for 4-[[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-[1-(furan-2-yl)propan-2-yl]benzamide is CC(Cc1ccco1)NC(=O)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1.
What is the InChIKey of 4-[[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-[1-(furan-2-yl)propan-2-yl]benzamide?
The InChIKey is WNOYJIARICXPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O2S/c1-19(16-24-4-3-15-35-24)31-27(34)22-10-6-20(7-11-22)17-33-26-25(5-2-14-30-26)32-28(33)36-18-21-8-12-23(29)13-9-21/h2-15,19H,16-18H2,1H3,(H,31,34).
What are the key properties of 4-[[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-[1-(furan-2-yl)propan-2-yl]benzamide?
4-[[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-[1-(furan-2-yl)propan-2-yl]benzamide has a molecular weight of 500.60 g/mol, XLogP of 5.86, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-[1-(furan-2-yl)propan-2-yl]benzamide is sourced from PubChem (CID 20887377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).