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

C25H26N4O3S — CID 20890739

IUPACN-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
SMILESCCC(C(=O)Nc1cccc(OC)c1)n1c(SCc2cccc(OC)c2)nc2ccncc21
InChIInChI=1S/C25H26N4O3S/c1-4-22(24(30)27-18-8-6-10-20(14-18)32-3)29-23-15-26-12-11-21(23)28-25(29)33-16-17-7-5-9-19(13-17)31-2/h5-15,22H,4,16H2,1-3H3,(H,27,30)
InChIKeyFCTZHHFHUNGRRJ-UHFFFAOYSA-N
MW462.58 g/mol
LogP5.33
Rot. Bonds9

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

N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide (PubChem CID 20890739) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
PubChem CID20890739
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC NameN-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
SMILESCCC(C(=O)Nc1cccc(OC)c1)n1c(SCc2cccc(OC)c2)nc2ccncc21
InChIInChI=1S/C25H26N4O3S/c1-4-22(24(30)27-18-8-6-10-20(14-18)32-3)29-23-15-26-12-11-21(23)28-25(29)33-16-17-7-5-9-19(13-17)31-2/h5-15,22H,4,16H2,1-3H3,(H,27,30)
InChIKeyFCTZHHFHUNGRRJ-UHFFFAOYSA-N
XLogP5.33
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.58
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
CID 6624879
N-cyclopentyl-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
CID 20890928
2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide
CID 53097740
4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-propylbenzamide
CID 20887210
2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide
CID 20890728
4-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide
CID 20891082
N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
CID 20890824
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
CID 98275193
N-(3,5-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890655
2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 75482272
(3,5-dimethylpiperidin-1-yl)-[4-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]phenyl]methanone
CID 20887175
2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20890880

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide (CID 20890739) is N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide is CCC(C(=O)Nc1cccc(OC)c1)n1c(SCc2cccc(OC)c2)nc2ccncc21.
What is the InChIKey of N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
The InChIKey is FCTZHHFHUNGRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-4-22(24(30)27-18-8-6-10-20(14-18)32-3)29-23-15-26-12-11-21(23)28-25(29)33-16-17-7-5-9-19(13-17)31-2/h5-15,22H,4,16H2,1-3H3,(H,27,30).
What are the key properties of N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide has a molecular weight of 462.58 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide is sourced from PubChem (CID 20890739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).