N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

C23H21F3N4O2 — CID 143133422

IUPACN-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESCCC1=C(C)N2C=C(NC(=O)c3ccc(Oc4ncccc4C(F)(F)F)cc3)C=CC2N1
InChIInChI=1S/C23H21F3N4O2/c1-3-19-14(2)30-13-16(8-11-20(30)29-19)28-21(31)15-6-9-17(10-7-15)32-22-18(23(24,25)26)5-4-12-27-22/h4-13,20,29H,3H2,1-2H3,(H,28,31)
InChIKeyHWIOOBFBSZYXOA-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.91
Rot. Bonds5

About N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (PubChem CID 143133422) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
PubChem CID143133422
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC NameN-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESCCC1=C(C)N2C=C(NC(=O)c3ccc(Oc4ncccc4C(F)(F)F)cc3)C=CC2N1
InChIInChI=1S/C23H21F3N4O2/c1-3-19-14(2)30-13-16(8-11-20(30)29-19)28-21(31)15-6-9-17(10-7-15)32-22-18(23(24,25)26)5-4-12-27-22/h4-13,20,29H,3H2,1-2H3,(H,28,31)
InChIKeyHWIOOBFBSZYXOA-UHFFFAOYSA-N
XLogP4.91
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The IUPAC name of N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (CID 143133422) is N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The canonical SMILES for N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is CCC1=C(C)N2C=C(NC(=O)c3ccc(Oc4ncccc4C(F)(F)F)cc3)C=CC2N1.
What is the InChIKey of N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The InChIKey is HWIOOBFBSZYXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c1-3-19-14(2)30-13-16(8-11-20(30)29-19)28-21(31)15-6-9-17(10-7-15)32-22-18(23(24,25)26)5-4-12-27-22/h4-13,20,29H,3H2,1-2H3,(H,28,31).
What are the key properties of N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide has a molecular weight of 442.44 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 143133422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).