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

C25H32N4OS — CID 20908608

IUPACN-(4-methylcyclohexyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
SMILESCCC(C(=O)NC1CCC(C)CC1)n1c(SCc2ccc(C)cc2)nc2cccnc21
InChIInChI=1S/C25H32N4OS/c1-4-22(24(30)27-20-13-9-18(3)10-14-20)29-23-21(6-5-15-26-23)28-25(29)31-16-19-11-7-17(2)8-12-19/h5-8,11-12,15,18,20,22H,4,9-10,13-14,16H2,1-3H3,(H,27,30)
InChIKeyUAHMYIDUTMYBFW-UHFFFAOYSA-N
MW436.63 g/mol
LogP5.68
Rot. Bonds7

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

N-(4-methylcyclohexyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide (PubChem CID 20908608) has the molecular formula C25H32N4OS and a molecular weight of 436.63 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
PubChem CID20908608
Molecular FormulaC25H32N4OS
Molecular Weight436.63 g/mol
Exact Mass436.23
IUPAC NameN-(4-methylcyclohexyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
SMILESCCC(C(=O)NC1CCC(C)CC1)n1c(SCc2ccc(C)cc2)nc2cccnc21
InChIInChI=1S/C25H32N4OS/c1-4-22(24(30)27-20-13-9-18(3)10-14-20)29-23-21(6-5-15-26-23)28-25(29)31-16-19-11-7-17(2)8-12-19/h5-8,11-12,15,18,20,22H,4,9-10,13-14,16H2,1-3H3,(H,27,30)
InChIKeyUAHMYIDUTMYBFW-UHFFFAOYSA-N
XLogP5.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.63
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methylcyclohexyl)-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-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
CID 6624879
N-(5-chloro-2-methylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
CID 20908566
(2R)-N-(2,6-dimethylphenyl)-2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
CID 92689297
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-4-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]benzamide
CID 93183828
N-cycloheptyl-4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]benzamide
CID 20908336
2-[3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79274812
N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 47005023
N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
CID 20890824
N-(3-ethylphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908581
N-cyclopentyl-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
CID 20890928
3-[(3-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridine
CID 20908577

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide (CID 20908608) is N-(4-methylcyclohexyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide is CCC(C(=O)NC1CCC(C)CC1)n1c(SCc2ccc(C)cc2)nc2cccnc21.
What is the InChIKey of N-(4-methylcyclohexyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide?
The InChIKey is UAHMYIDUTMYBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4OS/c1-4-22(24(30)27-20-13-9-18(3)10-14-20)29-23-21(6-5-15-26-23)28-25(29)31-16-19-11-7-17(2)8-12-19/h5-8,11-12,15,18,20,22H,4,9-10,13-14,16H2,1-3H3,(H,27,30).
What are the key properties of N-(4-methylcyclohexyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide?
N-(4-methylcyclohexyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide has a molecular weight of 436.63 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide is sourced from PubChem (CID 20908608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).