N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide

C23H22FN5O3S — CID 24784075

IUPACN-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc(-c4ccc(F)cc4)[nH]c23)cc1
InChIInChI=1S/C23H22FN5O3S/c1-2-33(31,32)29-18-9-3-15(4-10-18)11-13-26-23(30)19-12-14-25-22-20(19)27-21(28-22)16-5-7-17(24)8-6-16/h3-10,12,14,29H,2,11,13H2,1H3,(H,26,30)(H,25,27,28)
InChIKeyOFTLPBYNGGRVQM-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.50
Rot. Bonds8

About N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide

N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 24784075) has the molecular formula C23H22FN5O3S and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID24784075
Molecular FormulaC23H22FN5O3S
Molecular Weight467.53 g/mol
Exact Mass467.14
IUPAC NameN-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc(-c4ccc(F)cc4)[nH]c23)cc1
InChIInChI=1S/C23H22FN5O3S/c1-2-33(31,32)29-18-9-3-15(4-10-18)11-13-26-23(30)19-12-14-25-22-20(19)27-21(28-22)16-5-7-17(24)8-6-16/h3-10,12,14,29H,2,11,13H2,1H3,(H,26,30)(H,25,27,28)
InChIKeyOFTLPBYNGGRVQM-UHFFFAOYSA-N
XLogP3.50
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 24784075) is N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide is CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc(-c4ccc(F)cc4)[nH]c23)cc1.
What is the InChIKey of N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is OFTLPBYNGGRVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3S/c1-2-33(31,32)29-18-9-3-15(4-10-18)11-13-26-23(30)19-12-14-25-22-20(19)27-21(28-22)16-5-7-17(24)8-6-16/h3-10,12,14,29H,2,11,13H2,1H3,(H,26,30)(H,25,27,28).
What are the key properties of N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 3.50, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 24784075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).