4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide

C30H28N4OS — CID 20908340

IUPAC4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide
SMILESCc1cccc(Cn2c(SCc3ccc(C(=O)NC(C)c4ccccc4)cc3)nc3cccnc32)c1
InChIInChI=1S/C30H28N4OS/c1-21-8-6-9-24(18-21)19-34-28-27(12-7-17-31-28)33-30(34)36-20-23-13-15-26(16-14-23)29(35)32-22(2)25-10-4-3-5-11-25/h3-18,22H,19-20H2,1-2H3,(H,32,35)
InChIKeyWFHOUJVIIQVXNR-UHFFFAOYSA-N
MW492.65 g/mol
LogP6.57
Rot. Bonds8

About 4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide

4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide (PubChem CID 20908340) has the molecular formula C30H28N4OS and a molecular weight of 492.65 g/mol. Its IUPAC name is 4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide
PubChem CID20908340
Molecular FormulaC30H28N4OS
Molecular Weight492.65 g/mol
Exact Mass492.20
IUPAC Name4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide
SMILESCc1cccc(Cn2c(SCc3ccc(C(=O)NC(C)c4ccccc4)cc3)nc3cccnc32)c1
InChIInChI=1S/C30H28N4OS/c1-21-8-6-9-24(18-21)19-34-28-27(12-7-17-31-28)33-30(34)36-20-23-13-15-26(16-14-23)29(35)32-22(2)25-10-4-3-5-11-25/h3-18,22H,19-20H2,1-2H3,(H,32,35)
InChIKeyWFHOUJVIIQVXNR-UHFFFAOYSA-N
XLogP6.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.65
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide with MolForge

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Related Compounds

N-cycloheptyl-4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]benzamide
CID 20908336
3-[(3-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridine
CID 20908577
N-[(5-methylfuran-2-yl)methyl]-4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]benzamide
CID 20887344
4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-[(3-methylphenyl)methyl]benzamide
CID 20908321
4-[[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 20908305
4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzoic acid
CID 53213141
4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 20908458
4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 20887418
4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 20908363
N-ethyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide
CID 20908422
3-benzyl-2-[(3-methylphenyl)methylsulfanyl]-4-oxo-N-propan-2-ylquinazoline-7-carboxamide
CID 46360976
4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 20908295

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide (CID 20908340) is 4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide is Cc1cccc(Cn2c(SCc3ccc(C(=O)NC(C)c4ccccc4)cc3)nc3cccnc32)c1.
What is the InChIKey of 4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide?
The InChIKey is WFHOUJVIIQVXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4OS/c1-21-8-6-9-24(18-21)19-34-28-27(12-7-17-31-28)33-30(34)36-20-23-13-15-26(16-14-23)29(35)32-22(2)25-10-4-3-5-11-25/h3-18,22H,19-20H2,1-2H3,(H,32,35).
What are the key properties of 4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide?
4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide has a molecular weight of 492.65 g/mol, XLogP of 6.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 20908340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).