N-[3-[[4-[2-(tert-butylsulfonylamino)-5-propylphenyl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridin-6-yl]butanamide

C34H45N5O3S — CID 19939732

IUPACN-[3-[[4-[2-(tert-butylsulfonylamino)-5-propylphenyl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridin-6-yl]butanamide
SMILESCCCC(=O)Nc1cnc2c(nc(CCC)n2Cc2ccc(-c3cc(CCC)ccc3NS(=O)(=O)C(C)(C)C)cc2)c1C
InChIInChI=1S/C34H45N5O3S/c1-8-11-24-16-19-28(38-43(41,42)34(5,6)7)27(20-24)26-17-14-25(15-18-26)22-39-30(12-9-2)37-32-23(4)29(21-35-33(32)39)36-31(40)13-10-3/h14-21,38H,8-13,22H2,1-7H3,(H,36,40)
InChIKeyWPPPMCLFLTVNFH-UHFFFAOYSA-N
MW603.83 g/mol
LogP7.64
Rot. Bonds12

About N-[3-[[4-[2-(tert-butylsulfonylamino)-5-propylphenyl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridin-6-yl]butanamide

N-[3-[[4-[2-(tert-butylsulfonylamino)-5-propylphenyl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridin-6-yl]butanamide (PubChem CID 19939732) has the molecular formula C34H45N5O3S and a molecular weight of 603.83 g/mol. Its IUPAC name is N-[3-[[4-[2-(tert-butylsulfonylamino)-5-propylphenyl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridin-6-yl]butanamide.

Molecular Properties

Compound NameN-[3-[[4-[2-(tert-butylsulfonylamino)-5-propylphenyl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridin-6-yl]butanamide
PubChem CID19939732
Molecular FormulaC34H45N5O3S
Molecular Weight603.83 g/mol
Exact Mass603.32
IUPAC NameN-[3-[[4-[2-(tert-butylsulfonylamino)-5-propylphenyl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridin-6-yl]butanamide
SMILESCCCC(=O)Nc1cnc2c(nc(CCC)n2Cc2ccc(-c3cc(CCC)ccc3NS(=O)(=O)C(C)(C)C)cc2)c1C
InChIInChI=1S/C34H45N5O3S/c1-8-11-24-16-19-28(38-43(41,42)34(5,6)7)27(20-24)26-17-14-25(15-18-26)22-39-30(12-9-2)37-32-23(4)29(21-35-33(32)39)36-31(40)13-10-3/h14-21,38H,8-13,22H2,1-7H3,(H,36,40)
InChIKeyWPPPMCLFLTVNFH-UHFFFAOYSA-N
XLogP7.64
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.83
LogP ≤ 57.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(butanoylamino)-3-[[4-[2-[tert-butyl(sulfinato)amino]-5-propylphenyl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine
CID 54393224
butyl N-[2-[4-[[6-(butanoylamino)-7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl]methyl]phenyl]-4-butylphenyl]sulfonylcarbamate
CID 19939774
N-[2-butyl-3-[[4-[2-(3-cyclopentylpropanoylsulfamoyl)phenyl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]pentanamide
CID 19754054
methyl 2-[4-[(6-chloro-7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoate
CID 21464282
1-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea
CID 3212407
N-[2-butyl-3-[(3-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]acetamide
CID 5113824
1-benzyl-3-(3-benzyl-2-butyl-7-methylimidazo[4,5-b]pyridin-6-yl)urea
CID 3204062
N-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-2-chlorobenzamide
CID 3212401
N-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide
CID 3204071
N-[4-[4-[(4,6-dimethyl-2-propylbenzimidazol-1-yl)methyl]phenyl]-3-pyridinyl]-1,1,1-trifluoromethanesulfonamide
CID 19889370
1-benzyl-3-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]urea
CID 3212409
benzyl N-[2-[4-[(6-benzamido-2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylcarbamate
CID 15236343

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[2-(tert-butylsulfonylamino)-5-propylphenyl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridin-6-yl]butanamide?
The IUPAC name of N-[3-[[4-[2-(tert-butylsulfonylamino)-5-propylphenyl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridin-6-yl]butanamide (CID 19939732) is N-[3-[[4-[2-(tert-butylsulfonylamino)-5-propylphenyl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridin-6-yl]butanamide.
What is the SMILES notation for N-[3-[[4-[2-(tert-butylsulfonylamino)-5-propylphenyl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridin-6-yl]butanamide?
The canonical SMILES for N-[3-[[4-[2-(tert-butylsulfonylamino)-5-propylphenyl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridin-6-yl]butanamide is CCCC(=O)Nc1cnc2c(nc(CCC)n2Cc2ccc(-c3cc(CCC)ccc3NS(=O)(=O)C(C)(C)C)cc2)c1C.
What is the InChIKey of N-[3-[[4-[2-(tert-butylsulfonylamino)-5-propylphenyl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridin-6-yl]butanamide?
The InChIKey is WPPPMCLFLTVNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45N5O3S/c1-8-11-24-16-19-28(38-43(41,42)34(5,6)7)27(20-24)26-17-14-25(15-18-26)22-39-30(12-9-2)37-32-23(4)29(21-35-33(32)39)36-31(40)13-10-3/h14-21,38H,8-13,22H2,1-7H3,(H,36,40).
What are the key properties of N-[3-[[4-[2-(tert-butylsulfonylamino)-5-propylphenyl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridin-6-yl]butanamide?
N-[3-[[4-[2-(tert-butylsulfonylamino)-5-propylphenyl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridin-6-yl]butanamide has a molecular weight of 603.83 g/mol, XLogP of 7.64, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[2-(tert-butylsulfonylamino)-5-propylphenyl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridin-6-yl]butanamide is sourced from PubChem (CID 19939732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).