N-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide

C25H26N4O2S — CID 6624879

IUPACN-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
SMILESCCC(C(=O)Nc1cccc(OC)c1)n1c(SCc2ccc(C)cc2)nc2cccnc21
InChIInChI=1S/C25H26N4O2S/c1-4-22(24(30)27-19-7-5-8-20(15-19)31-3)29-23-21(9-6-14-26-23)28-25(29)32-16-18-12-10-17(2)11-13-18/h5-15,22H,4,16H2,1-3H3,(H,27,30)
InChIKeyDAVPECUBJSEQHW-UHFFFAOYSA-N
MW446.58 g/mol
LogP5.63
Rot. Bonds8

About N-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide

N-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide (PubChem CID 6624879) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
PubChem CID6624879
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC NameN-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
SMILESCCC(C(=O)Nc1cccc(OC)c1)n1c(SCc2ccc(C)cc2)nc2cccnc21
InChIInChI=1S/C25H26N4O2S/c1-4-22(24(30)27-19-7-5-8-20(15-19)31-3)29-23-21(9-6-14-26-23)28-25(29)32-16-18-12-10-17(2)11-13-18/h5-15,22H,4,16H2,1-3H3,(H,27,30)
InChIKeyDAVPECUBJSEQHW-UHFFFAOYSA-N
XLogP5.63
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.58
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide with MolForge

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Related Compounds

2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)butanamide
CID 20908611
N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
CID 20890739
N-(4-methylcyclohexyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
CID 20908608
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
CID 98275193
N-(5-chloro-2-methylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
CID 20908566
N-(3-ethylphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908581
2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide
CID 53097740
N-(3-fluoro-4-methylphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908585
(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide
CID 92901957
N-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 1289534
N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide
CID 23743067
N-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900319

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide (CID 6624879) is N-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide is CCC(C(=O)Nc1cccc(OC)c1)n1c(SCc2ccc(C)cc2)nc2cccnc21.
What is the InChIKey of N-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide?
The InChIKey is DAVPECUBJSEQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-4-22(24(30)27-19-7-5-8-20(15-19)31-3)29-23-21(9-6-14-26-23)28-25(29)32-16-18-12-10-17(2)11-13-18/h5-15,22H,4,16H2,1-3H3,(H,27,30).
What are the key properties of N-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide?
N-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide has a molecular weight of 446.58 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide is sourced from PubChem (CID 6624879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).