N-[2-[4-[[2-butyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzamide

C37H35F6N5O4S — CID 19754063

IUPACN-[2-[4-[[2-butyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzamide
SMILESCCCCC(=O)Nc1cnc2c(c1)nc(CCCC)n2Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C37H35F6N5O4S/c1-3-5-11-32-46-30-20-28(45-33(49)12-6-4-2)21-44-34(30)48(32)22-23-13-15-24(16-14-23)29-9-7-8-10-31(29)53(51,52)47-35(50)25-17-26(36(38,39)40)19-27(18-25)37(41,42)43/h7-10,13-21H,3-6,11-12,22H2,1-2H3,(H,45,49)(H,47,50)
InChIKeyLCVUZYJSXJGUHJ-UHFFFAOYSA-N
MW759.77 g/mol
LogP8.77
Rot. Bonds13

About N-[2-[4-[[2-butyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzamide

N-[2-[4-[[2-butyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzamide (PubChem CID 19754063) has the molecular formula C37H35F6N5O4S and a molecular weight of 759.77 g/mol. Its IUPAC name is N-[2-[4-[[2-butyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-[[2-butyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzamide
PubChem CID19754063
Molecular FormulaC37H35F6N5O4S
Molecular Weight759.77 g/mol
Exact Mass759.23
IUPAC NameN-[2-[4-[[2-butyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzamide
SMILESCCCCC(=O)Nc1cnc2c(c1)nc(CCCC)n2Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C37H35F6N5O4S/c1-3-5-11-32-46-30-20-28(45-33(49)12-6-4-2)21-44-34(30)48(32)22-23-13-15-24(16-14-23)29-9-7-8-10-31(29)53(51,52)47-35(50)25-17-26(36(38,39)40)19-27(18-25)37(41,42)43/h7-10,13-21H,3-6,11-12,22H2,1-2H3,(H,45,49)(H,47,50)
InChIKeyLCVUZYJSXJGUHJ-UHFFFAOYSA-N
XLogP8.77
TPSA123.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.77
LogP ≤ 58.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-[[2-butyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonyl-3,5-bis(trifluoromethyl)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

N-[2-butyl-3-[[4-[2-(3-cyclopentylpropanoylsulfamoyl)phenyl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]pentanamide
CID 19754054
N-[2-[4-[(2-butyl-5,6-dimethylimidazo[1,2-b][1,2,4]triazol-3-yl)methyl]phenyl]phenyl]sulfonylbenzamide
CID 19779413
tert-butyl [2-[4-[[2-butyl-5-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl] carbonate
CID 67910181
3-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2-butylimidazole-4-carboxylic acid
CID 68718342
4-[(2-butylbenzimidazol-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide
CID 19806375
4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 46360141
[2-[4-[[6-(butanoylamino)-2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl] tert-butyl carbonate
CID 67910008
2-[4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 67943935
4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid
CID 82070616
[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylcarbamic acid
CID 151022583
N-[2-[4-[[3-butyl-5-oxo-1-[3-(propanoylamino)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-chlorobenzamide
CID 10394712
N-[2-[4-[[3-butyl-5-oxo-1-[5-(propanoylamino)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylbenzamide
CID 10462598

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[2-butyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[4-[[2-butyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzamide (CID 19754063) is N-[2-[4-[[2-butyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[4-[[2-butyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[4-[[2-butyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzamide is CCCCC(=O)Nc1cnc2c(c1)nc(CCCC)n2Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[2-[4-[[2-butyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is LCVUZYJSXJGUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35F6N5O4S/c1-3-5-11-32-46-30-20-28(45-33(49)12-6-4-2)21-44-34(30)48(32)22-23-13-15-24(16-14-23)29-9-7-8-10-31(29)53(51,52)47-35(50)25-17-26(36(38,39)40)19-27(18-25)37(41,42)43/h7-10,13-21H,3-6,11-12,22H2,1-2H3,(H,45,49)(H,47,50).
What are the key properties of N-[2-[4-[[2-butyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzamide?
N-[2-[4-[[2-butyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 759.77 g/mol, XLogP of 8.77, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[2-butyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 19754063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).