2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)butanamide

C27H30N4OS — CID 20908611

IUPAC2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)butanamide
SMILESCCC(C(=O)Nc1c(C)cc(C)cc1C)n1c(SCc2ccc(C)cc2)nc2cccnc21
InChIInChI=1S/C27H30N4OS/c1-6-23(26(32)30-24-19(4)14-18(3)15-20(24)5)31-25-22(8-7-13-28-25)29-27(31)33-16-21-11-9-17(2)10-12-21/h7-15,23H,6,16H2,1-5H3,(H,30,32)
InChIKeyBGOZNAZCTGNYID-UHFFFAOYSA-N
MW458.63 g/mol
LogP6.55
Rot. Bonds7

About 2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)butanamide

2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 20908611) has the molecular formula C27H30N4OS and a molecular weight of 458.63 g/mol. Its IUPAC name is 2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID20908611
Molecular FormulaC27H30N4OS
Molecular Weight458.63 g/mol
Exact Mass458.21
IUPAC Name2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)butanamide
SMILESCCC(C(=O)Nc1c(C)cc(C)cc1C)n1c(SCc2ccc(C)cc2)nc2cccnc21
InChIInChI=1S/C27H30N4OS/c1-6-23(26(32)30-24-19(4)14-18(3)15-20(24)5)31-25-22(8-7-13-28-25)29-27(31)33-16-21-11-9-17(2)10-12-21/h7-15,23H,6,16H2,1-5H3,(H,30,32)
InChIKeyBGOZNAZCTGNYID-UHFFFAOYSA-N
XLogP6.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.63
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)butanamide with MolForge

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Related Compounds

(2R)-N-(2,6-dimethylphenyl)-2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
CID 92689297
N-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
CID 6624879
N-(4-methylcyclohexyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
CID 20908608
N-(5-chloro-2-methylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
CID 20908566
2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 20908648
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
CID 98275193
N-(3-ethylphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908581
N-(3-fluoro-4-methylphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908585
3-[(3-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridine
CID 20908577
4-[[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 20908305
4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 20908295
N-(2-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908533

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)butanamide (CID 20908611) is 2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)butanamide is CCC(C(=O)Nc1c(C)cc(C)cc1C)n1c(SCc2ccc(C)cc2)nc2cccnc21.
What is the InChIKey of 2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is BGOZNAZCTGNYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4OS/c1-6-23(26(32)30-24-19(4)14-18(3)15-20(24)5)31-25-22(8-7-13-28-25)29-27(31)33-16-21-11-9-17(2)10-12-21/h7-15,23H,6,16H2,1-5H3,(H,30,32).
What are the key properties of 2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)butanamide?
2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 458.63 g/mol, XLogP of 6.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 20908611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).