N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-2-(trifluoromethyl)benzamide

C23H18F4N4O3 — CID 166545568

IUPACN-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-2-(trifluoromethyl)benzamide
SMILESCC(C)n1c(=O)[nH]c2nccc(Oc3ccc(NC(=O)c4ccccc4C(F)(F)F)cc3F)c21
InChIInChI=1S/C23H18F4N4O3/c1-12(2)31-19-18(9-10-28-20(19)30-22(31)33)34-17-8-7-13(11-16(17)24)29-21(32)14-5-3-4-6-15(14)23(25,26)27/h3-12H,1-2H3,(H,29,32)(H,28,30,33)
InChIKeyPRRMELUTDZCNNI-UHFFFAOYSA-N
MW474.41 g/mol
LogP5.51
Rot. Bonds5

About N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-2-(trifluoromethyl)benzamide

N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 166545568) has the molecular formula C23H18F4N4O3 and a molecular weight of 474.41 g/mol. Its IUPAC name is N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-2-(trifluoromethyl)benzamide
PubChem CID166545568
Molecular FormulaC23H18F4N4O3
Molecular Weight474.41 g/mol
Exact Mass474.13
IUPAC NameN-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-2-(trifluoromethyl)benzamide
SMILESCC(C)n1c(=O)[nH]c2nccc(Oc3ccc(NC(=O)c4ccccc4C(F)(F)F)cc3F)c21
InChIInChI=1S/C23H18F4N4O3/c1-12(2)31-19-18(9-10-28-20(19)30-22(31)33)34-17-8-7-13(11-16(17)24)29-21(32)14-5-3-4-6-15(14)23(25,26)27/h3-12H,1-2H3,(H,29,32)(H,28,30,33)
InChIKeyPRRMELUTDZCNNI-UHFFFAOYSA-N
XLogP5.51
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.41
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-[2-fluoro-4-[[3-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]oxiran-2-yl]amino]phenoxy]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one
CID 167265478
7-[4-[[3-[1-(2,6-difluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]oxiran-2-yl]amino]-2-fluorophenoxy]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one
CID 167265512
7-[4-[[3-[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]oxiran-2-yl]amino]-2-fluorophenoxy]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one
CID 167265502
7-[2-fluoro-4-[[3-[1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]oxiran-2-yl]amino]phenoxy]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one
CID 167265237
7-[2-fluoro-4-[[3-[1-(oxan-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]oxiran-2-yl]amino]phenoxy]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one
CID 167265899
N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 139177364
N-[3-fluoro-4-[[3-(1-hydroxypropan-2-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 146441732
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxo-3-phenyl-1-propan-2-ylpyrimidine-5-carboxamide
CID 71576566
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 167268113
N-[3-fluoro-4-[[3-[[(2R)-1-methoxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxamide
CID 146432916
3-[2-fluoro-4-[[5-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]phenoxy]-N-propylpyridine-2-carboxamide
CID 175876574
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545418

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-2-(trifluoromethyl)benzamide (CID 166545568) is N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-2-(trifluoromethyl)benzamide is CC(C)n1c(=O)[nH]c2nccc(Oc3ccc(NC(=O)c4ccccc4C(F)(F)F)cc3F)c21.
What is the InChIKey of N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is PRRMELUTDZCNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N4O3/c1-12(2)31-19-18(9-10-28-20(19)30-22(31)33)34-17-8-7-13(11-16(17)24)29-21(32)14-5-3-4-6-15(14)23(25,26)27/h3-12H,1-2H3,(H,29,32)(H,28,30,33).
What are the key properties of N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-2-(trifluoromethyl)benzamide?
N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 474.41 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 166545568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).