N-ethyl-N-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-7-yl)-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanesulfonamide

C22H25FN6O2S — CID 170556454

IUPACN-ethyl-N-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-7-yl)-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanesulfonamide
SMILESCCN(c1cc(-c2c(C)nn(C)c2C)c(F)c(-c2ccnc3nc[nH]c23)c1)S(=O)(=O)CC
InChIInChI=1S/C22H25FN6O2S/c1-6-29(32(30,31)7-2)15-10-17(16-8-9-24-22-21(16)25-12-26-22)20(23)18(11-15)19-13(3)27-28(5)14(19)4/h8-12H,6-7H2,1-5H3,(H,24,25,26)
InChIKeyBECJIPVAUUWYEN-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.96
Rot. Bonds6

About N-ethyl-N-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-7-yl)-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanesulfonamide

N-ethyl-N-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-7-yl)-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanesulfonamide (PubChem CID 170556454) has the molecular formula C22H25FN6O2S and a molecular weight of 456.55 g/mol. Its IUPAC name is N-ethyl-N-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-7-yl)-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-7-yl)-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanesulfonamide
PubChem CID170556454
Molecular FormulaC22H25FN6O2S
Molecular Weight456.55 g/mol
Exact Mass456.17
IUPAC NameN-ethyl-N-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-7-yl)-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanesulfonamide
SMILESCCN(c1cc(-c2c(C)nn(C)c2C)c(F)c(-c2ccnc3nc[nH]c23)c1)S(=O)(=O)CC
InChIInChI=1S/C22H25FN6O2S/c1-6-29(32(30,31)7-2)15-10-17(16-8-9-24-22-21(16)25-12-26-22)20(23)18(11-15)19-13(3)27-28(5)14(19)4/h8-12H,6-7H2,1-5H3,(H,24,25,26)
InChIKeyBECJIPVAUUWYEN-UHFFFAOYSA-N
XLogP3.96
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[2-fluoro-5-(oxolan-2-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 170556443
N-ethyl-N-[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanesulfonamide
CID 170556435
6-[2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 177380779
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-7H-purin-6-amine
CID 117079518
5,7-dimethyl-3H-imidazo[4,5-d]pyridazin-4-one;ethane
CID 145187400
4-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 54910083
5-propoxy-2-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 172651292
2-(1,3,5-trimethylpyrazol-4-yl)pyridine
CID 91021592
N-[2,4-difluoro-3-(1H-imidazo[4,5-c]isoquinolin-7-yl)phenyl]propane-1-sulfonamide
CID 158284899
7-methyl-1H-imidazo[4,5-b]pyridine
CID 3966621
2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
CID 107957677
N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 104620651

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-7-yl)-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-ethyl-N-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-7-yl)-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanesulfonamide (CID 170556454) is N-ethyl-N-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-7-yl)-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-ethyl-N-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-7-yl)-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-ethyl-N-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-7-yl)-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanesulfonamide is CCN(c1cc(-c2c(C)nn(C)c2C)c(F)c(-c2ccnc3nc[nH]c23)c1)S(=O)(=O)CC.
What is the InChIKey of N-ethyl-N-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-7-yl)-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanesulfonamide?
The InChIKey is BECJIPVAUUWYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2S/c1-6-29(32(30,31)7-2)15-10-17(16-8-9-24-22-21(16)25-12-26-22)20(23)18(11-15)19-13(3)27-28(5)14(19)4/h8-12H,6-7H2,1-5H3,(H,24,25,26).
What are the key properties of N-ethyl-N-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-7-yl)-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanesulfonamide?
N-ethyl-N-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-7-yl)-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanesulfonamide has a molecular weight of 456.55 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-7-yl)-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 170556454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).