N-butyl-2-[1-ethyl-2-oxo-6-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]acetamide

C21H23F3N4O3 — CID 44621126

IUPACN-butyl-2-[1-ethyl-2-oxo-6-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]acetamide
SMILESCCCCNC(=O)Cn1c(=O)n(CC)c2cc(-c3cccc(OC(F)(F)F)c3)cnc21
InChIInChI=1S/C21H23F3N4O3/c1-3-5-9-25-18(29)13-28-19-17(27(4-2)20(28)30)11-15(12-26-19)14-7-6-8-16(10-14)31-21(22,23)24/h6-8,10-12H,3-5,9,13H2,1-2H3,(H,25,29)
InChIKeyAHZPZBSDWIUXJW-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.70
Rot. Bonds8

About N-butyl-2-[1-ethyl-2-oxo-6-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]acetamide

N-butyl-2-[1-ethyl-2-oxo-6-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]acetamide (PubChem CID 44621126) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is N-butyl-2-[1-ethyl-2-oxo-6-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[1-ethyl-2-oxo-6-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]acetamide
PubChem CID44621126
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC NameN-butyl-2-[1-ethyl-2-oxo-6-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]acetamide
SMILESCCCCNC(=O)Cn1c(=O)n(CC)c2cc(-c3cccc(OC(F)(F)F)c3)cnc21
InChIInChI=1S/C21H23F3N4O3/c1-3-5-9-25-18(29)13-28-19-17(27(4-2)20(28)30)11-15(12-26-19)14-7-6-8-16(10-14)31-21(22,23)24/h6-8,10-12H,3-5,9,13H2,1-2H3,(H,25,29)
InChIKeyAHZPZBSDWIUXJW-UHFFFAOYSA-N
XLogP3.70
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-butyl-2-[1-ethyl-2-oxo-6-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]acetamide?
The IUPAC name of N-butyl-2-[1-ethyl-2-oxo-6-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]acetamide (CID 44621126) is N-butyl-2-[1-ethyl-2-oxo-6-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-butyl-2-[1-ethyl-2-oxo-6-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-butyl-2-[1-ethyl-2-oxo-6-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]acetamide is CCCCNC(=O)Cn1c(=O)n(CC)c2cc(-c3cccc(OC(F)(F)F)c3)cnc21.
What is the InChIKey of N-butyl-2-[1-ethyl-2-oxo-6-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]acetamide?
The InChIKey is AHZPZBSDWIUXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O3/c1-3-5-9-25-18(29)13-28-19-17(27(4-2)20(28)30)11-15(12-26-19)14-7-6-8-16(10-14)31-21(22,23)24/h6-8,10-12H,3-5,9,13H2,1-2H3,(H,25,29).
What are the key properties of N-butyl-2-[1-ethyl-2-oxo-6-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]acetamide?
N-butyl-2-[1-ethyl-2-oxo-6-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]acetamide has a molecular weight of 436.43 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[1-ethyl-2-oxo-6-[3-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 44621126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).