propan-2-yl 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate

C18H18N4O3S — CID 2911922

IUPACpropan-2-yl 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)CSc2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C18H18N4O3S/c1-11(2)25-17(24)12-5-7-13(8-6-12)20-15(23)10-26-18-21-14-4-3-9-19-16(14)22-18/h3-9,11H,10H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyGWJHQYSDQMMZRN-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.25
Rot. Bonds6

About propan-2-yl 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate

propan-2-yl 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate (PubChem CID 2911922) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is propan-2-yl 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate
PubChem CID2911922
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Namepropan-2-yl 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)CSc2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C18H18N4O3S/c1-11(2)25-17(24)12-5-7-13(8-6-12)20-15(23)10-26-18-21-14-4-3-9-19-16(14)22-18/h3-9,11H,10H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyGWJHQYSDQMMZRN-UHFFFAOYSA-N
XLogP3.25
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-{[(3H-imidazo[4,5-b]pyridin-2-ylthio)acetyl]amino}benzoate
CID 934900
methyl 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate
CID 3795763
Picoprazole
CID 71223
methyl 4-(7H-purin-6-ylamino)benzoate
CID 756646
4-[2-(4-Pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetylamino]-benzoic acid ethyl ester
CID 1145657
Methyl 4-[2-(4-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate
CID 1163944
ethyl 4-[({[5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)amino]benzoate
CID 1241962
Ethyl 1-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzimidazole-5-carboxylate
CID 2999522
ethyl 4-({[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)benzoate
CID 5294356
Methyl 4-(6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-ylamino)benzoate
CID 16021727
Ethyl 4-[[2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]acetyl]amino]benzoate
CID 16022221
methyl 2-[2-amino-5-(3-phenylphenyl)-3-pyridinyl]-3H-benzimidazole-5-carboxylate
CID 44528696

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate (CID 2911922) is propan-2-yl 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate is CC(C)OC(=O)c1ccc(NC(=O)CSc2nc3ncccc3[nH]2)cc1.
What is the InChIKey of propan-2-yl 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate?
The InChIKey is GWJHQYSDQMMZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-11(2)25-17(24)12-5-7-13(8-6-12)20-15(23)10-26-18-21-14-4-3-9-19-16(14)22-18/h3-9,11H,10H2,1-2H3,(H,20,23)(H,19,21,22).
What are the key properties of propan-2-yl 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate?
propan-2-yl 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate has a molecular weight of 370.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate is sourced from PubChem (CID 2911922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).