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

C23H23FN4O2S — CID 53021066

IUPACN-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2nc3cccnc3n2Cc2ccc(F)cc2)cc1C
InChIInChI=1S/C23H23FN4O2S/c1-15-11-17(3)21(12-16(15)2)31(29,30)26-13-22-27-20-5-4-10-25-23(20)28(22)14-18-6-8-19(24)9-7-18/h4-12,26H,13-14H2,1-3H3
InChIKeyWUAPWLIILRZAGF-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.02
Rot. Bonds6

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

N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2,4,5-trimethylbenzenesulfonamide (PubChem CID 53021066) has the molecular formula C23H23FN4O2S and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2,4,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2,4,5-trimethylbenzenesulfonamide
PubChem CID53021066
Molecular FormulaC23H23FN4O2S
Molecular Weight438.53 g/mol
Exact Mass438.15
IUPAC NameN-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2nc3cccnc3n2Cc2ccc(F)cc2)cc1C
InChIInChI=1S/C23H23FN4O2S/c1-15-11-17(3)21(12-16(15)2)31(29,30)26-13-22-27-20-5-4-10-25-23(20)28(22)14-18-6-8-19(24)9-7-18/h4-12,26H,13-14H2,1-3H3
InChIKeyWUAPWLIILRZAGF-UHFFFAOYSA-N
XLogP4.02
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2,4,5-trimethylbenzenesulfonamide?
The IUPAC name of N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2,4,5-trimethylbenzenesulfonamide (CID 53021066) is N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2,4,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2,4,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2,4,5-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2nc3cccnc3n2Cc2ccc(F)cc2)cc1C.
What is the InChIKey of N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2,4,5-trimethylbenzenesulfonamide?
The InChIKey is WUAPWLIILRZAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2S/c1-15-11-17(3)21(12-16(15)2)31(29,30)26-13-22-27-20-5-4-10-25-23(20)28(22)14-18-6-8-19(24)9-7-18/h4-12,26H,13-14H2,1-3H3.
What are the key properties of N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2,4,5-trimethylbenzenesulfonamide?
N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2,4,5-trimethylbenzenesulfonamide has a molecular weight of 438.53 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2,4,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 53021066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).