N-(2-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-4-yl]butanamide

C23H20ClFN4OS — CID 170711011

IUPACN-(2-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-4-yl]butanamide
SMILESCCC(C(=O)Nc1ccccc1Cl)n1cccc2nc(SCc3ccc(F)cc3)nc1-2
InChIInChI=1S/C23H20ClFN4OS/c1-2-20(22(30)26-18-7-4-3-6-17(18)24)29-13-5-8-19-21(29)28-23(27-19)31-14-15-9-11-16(25)12-10-15/h3-13,20H,2,14H2,1H3,(H,26,30)
InChIKeyRWLDSRHFLHYSKG-UHFFFAOYSA-N
MW454.96 g/mol
LogP6.06
Rot. Bonds7

About N-(2-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-4-yl]butanamide

N-(2-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-4-yl]butanamide (PubChem CID 170711011) has the molecular formula C23H20ClFN4OS and a molecular weight of 454.96 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-4-yl]butanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-4-yl]butanamide
PubChem CID170711011
Molecular FormulaC23H20ClFN4OS
Molecular Weight454.96 g/mol
Exact Mass454.10
IUPAC NameN-(2-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-4-yl]butanamide
SMILESCCC(C(=O)Nc1ccccc1Cl)n1cccc2nc(SCc3ccc(F)cc3)nc1-2
InChIInChI=1S/C23H20ClFN4OS/c1-2-20(22(30)26-18-7-4-3-6-17(18)24)29-13-5-8-19-21(29)28-23(27-19)31-14-15-9-11-16(25)12-10-15/h3-13,20H,2,14H2,1H3,(H,26,30)
InChIKeyRWLDSRHFLHYSKG-UHFFFAOYSA-N
XLogP6.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.96
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-4-yl]butanamide 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

2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-4-yl]-N-(2-methylphenyl)butanamide
CID 170711058
N-[5-(2,3-dihydroazet-3-ylamino)-2-methylphenyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-4-yl]butanamide
CID 170711047
2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-4-yl]-N-[2-methyl-5-(oxolan-3-ylamino)phenyl]butanamide
CID 170711061
N-[5-(2,3-dihydroazet-3-ylamino)-2-methylphenyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-4-yl]propanamide
CID 170711062
2-[6-bromo-2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-4-yl]-N-[2-methyl-5-(oxan-4-ylamino)phenyl]butanamide
CID 170711010
N-(5-chloro-2-methylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
CID 20908566
N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 46771035
(2S)-N-(3-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]butanamide
CID 93056425
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 100574546
(2R)-N-(2-chlorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide
CID 92887510
N-(2-chlorophenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 78655227
N-(2-chlorophenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537351

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-4-yl]butanamide?
The IUPAC name of N-(2-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-4-yl]butanamide (CID 170711011) is N-(2-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-4-yl]butanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-4-yl]butanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-4-yl]butanamide is CCC(C(=O)Nc1ccccc1Cl)n1cccc2nc(SCc3ccc(F)cc3)nc1-2.
What is the InChIKey of N-(2-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-4-yl]butanamide?
The InChIKey is RWLDSRHFLHYSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4OS/c1-2-20(22(30)26-18-7-4-3-6-17(18)24)29-13-5-8-19-21(29)28-23(27-19)31-14-15-9-11-16(25)12-10-15/h3-13,20H,2,14H2,1H3,(H,26,30).
What are the key properties of N-(2-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-4-yl]butanamide?
N-(2-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-4-yl]butanamide has a molecular weight of 454.96 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-4-yl]butanamide is sourced from PubChem (CID 170711011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).