N-(2-methoxyethyl)-2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetamide

C18H17F3N4O3 — CID 134494090

IUPACN-(2-methoxyethyl)-2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetamide
SMILESCOCCNC(=O)Cn1c(=O)[nH]c2ncc(-c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C18H17F3N4O3/c1-28-6-5-22-15(26)10-25-14-8-12(9-23-16(14)24-17(25)27)11-3-2-4-13(7-11)18(19,20)21/h2-4,7-9H,5-6,10H2,1H3,(H,22,26)(H,23,24,27)
InChIKeyCCAKUUGAMLLUKW-UHFFFAOYSA-N
MW394.35 g/mol
LogP2.17
Rot. Bonds6

About N-(2-methoxyethyl)-2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetamide

N-(2-methoxyethyl)-2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetamide (PubChem CID 134494090) has the molecular formula C18H17F3N4O3 and a molecular weight of 394.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetamide
PubChem CID134494090
Molecular FormulaC18H17F3N4O3
Molecular Weight394.35 g/mol
Exact Mass394.13
IUPAC NameN-(2-methoxyethyl)-2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetamide
SMILESCOCCNC(=O)Cn1c(=O)[nH]c2ncc(-c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C18H17F3N4O3/c1-28-6-5-22-15(26)10-25-14-8-12(9-23-16(14)24-17(25)27)11-3-2-4-13(7-11)18(19,20)21/h2-4,7-9H,5-6,10H2,1H3,(H,22,26)(H,23,24,27)
InChIKeyCCAKUUGAMLLUKW-UHFFFAOYSA-N
XLogP2.17
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetamide (CID 134494090) is N-(2-methoxyethyl)-2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetamide is COCCNC(=O)Cn1c(=O)[nH]c2ncc(-c3cccc(C(F)(F)F)c3)cc21.
What is the InChIKey of N-(2-methoxyethyl)-2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetamide?
The InChIKey is CCAKUUGAMLLUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3/c1-28-6-5-22-15(26)10-25-14-8-12(9-23-16(14)24-17(25)27)11-3-2-4-13(7-11)18(19,20)21/h2-4,7-9H,5-6,10H2,1H3,(H,22,26)(H,23,24,27).
What are the key properties of N-(2-methoxyethyl)-2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetamide has a molecular weight of 394.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 134494090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).