N-[1-(2-chlorophenyl)-6-methoxy-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide

C22H14ClF4N3O3 — CID 166822260

IUPACN-[1-(2-chlorophenyl)-6-methoxy-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESCOc1ncc2c(c1NC(=O)c1cc(F)cc(C(F)(F)F)c1)C(c1ccccc1Cl)NC2=O
InChIInChI=1S/C22H14ClF4N3O3/c1-33-21-18(30-19(31)10-6-11(22(25,26)27)8-12(24)7-10)16-14(9-28-21)20(32)29-17(16)13-4-2-3-5-15(13)23/h2-9,17H,1H3,(H,29,32)(H,30,31)
InChIKeyZUGLUKKOMLYEQK-UHFFFAOYSA-N
MW479.82 g/mol
LogP4.99
Rot. Bonds4

About N-[1-(2-chlorophenyl)-6-methoxy-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide

N-[1-(2-chlorophenyl)-6-methoxy-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 166822260) has the molecular formula C22H14ClF4N3O3 and a molecular weight of 479.82 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-6-methoxy-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-6-methoxy-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide
PubChem CID166822260
Molecular FormulaC22H14ClF4N3O3
Molecular Weight479.82 g/mol
Exact Mass479.07
IUPAC NameN-[1-(2-chlorophenyl)-6-methoxy-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESCOc1ncc2c(c1NC(=O)c1cc(F)cc(C(F)(F)F)c1)C(c1ccccc1Cl)NC2=O
InChIInChI=1S/C22H14ClF4N3O3/c1-33-21-18(30-19(31)10-6-11(22(25,26)27)8-12(24)7-10)16-14(9-28-21)20(32)29-17(16)13-4-2-3-5-15(13)23/h2-9,17H,1H3,(H,29,32)(H,30,31)
InChIKeyZUGLUKKOMLYEQK-UHFFFAOYSA-N
XLogP4.99
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.82
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-amino-2-methoxypyrimidin-5-yl)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166822166
N-[3-(2-chloro-5-fluorophenyl)-6-(3-methoxy-4-pyridinyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166821735
methyl 1-(2-chloro-5-fluorophenyl)-7-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-3-oxo-1,2-dihydroisoindole-5-carboxylate
CID 163980333
N-[(3S)-3-(2-chloro-5-fluorophenyl)-1-oxo-6-pyridin-3-yl-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 176619084
N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-pyrimidin-2-yloxy-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166821940
N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-(2-pyridin-3-ylethynyl)-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166822595
3-fluoro-N-[4-methyl-1-(2-methylphenyl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-5-(trifluoromethyl)benzamide
CID 166822308
N-[(3S)-6-(2-aminopyrimidin-5-yl)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166821663
N-[6-acetamido-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166822636
N-[3-(2-chloro-5-fluorophenyl)-6-(2-methoxypyrimidin-4-yl)oxy-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 176619106
N-[3-(2-chloro-5-fluorophenyl)-6-(3-methyl-4-pyridinyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166822732
N-[1-(2-chloro-5-fluorophenyl)-7-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-3-oxo-1,2-dihydroisoindol-5-yl]-1-methylpyrazole-4-carboxamide
CID 166821992

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-6-methoxy-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(2-chlorophenyl)-6-methoxy-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide (CID 166822260) is N-[1-(2-chlorophenyl)-6-methoxy-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-6-methoxy-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-6-methoxy-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide is COc1ncc2c(c1NC(=O)c1cc(F)cc(C(F)(F)F)c1)C(c1ccccc1Cl)NC2=O.
What is the InChIKey of N-[1-(2-chlorophenyl)-6-methoxy-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is ZUGLUKKOMLYEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF4N3O3/c1-33-21-18(30-19(31)10-6-11(22(25,26)27)8-12(24)7-10)16-14(9-28-21)20(32)29-17(16)13-4-2-3-5-15(13)23/h2-9,17H,1H3,(H,29,32)(H,30,31).
What are the key properties of N-[1-(2-chlorophenyl)-6-methoxy-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
N-[1-(2-chlorophenyl)-6-methoxy-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 479.82 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-6-methoxy-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 166822260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).