7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-ethoxyphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one

C134H115F5N12O8 — CID 159730844

IUPAC7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-ethoxyphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one
SMILESCCOc1ccc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)cc1.COc1cc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)ccc1C.Cc1cc(C2=Nc3ccc(-c4cc(F)cc(F)c4)cc3CC(=O)C2)ccn1.Cc1ccc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)c(C(F)(F)F)c1.Cc1ccc2c(c1)CC(=O)CC(c1ccnc(C)c1)=N2.Cc1cccc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)c1
InChIInChI=1S/C24H19F3N2O.2C24H22N2O2.C23H20N2O.C22H16F2N2O.C17H16N2O/c1-14-3-5-20(21(9-14)24(25,26)27)16-4-6-22-18(11-16)12-19(30)13-23(29-22)17-7-8-28-15(2)10-17;1-15-4-5-18(13-24(15)28-3)17-6-7-22-20(11-17)12-21(27)14-23(26-22)19-8-9-25-16(2)10-19;1-3-28-22-7-4-17(5-8-22)18-6-9-23-20(13-18)14-21(27)15-24(26-23)19-10-11-25-16(2)12-19;1-15-4-3-5-17(10-15)18-6-7-22-20(12-18)13-21(26)14-23(25-22)19-8-9-24-16(2)11-19;1-13-6-15(4-5-25-13)22-12-20(27)10-17-7-14(2-3-21(17)26-22)16-8-18(23)11-19(24)9-16;1-11-3-4-16-14(7-11)9-15(20)10-17(19-16)13-5-6-18-12(2)8-13/h3-11H,12-13H2,1-2H3;4-11,13H,12,14H2,1-3H3;4-13H,3,14-15H2,1-2H3;3-12H,13-14H2,1-2H3;2-9,11H,10,12H2,1H3;3-8H,9-10H2,1-2H3
InChIKeyNBFGSKHALUBDHW-UHFFFAOYSA-N
MW2116.46 g/mol
LogP29.43
Rot. Bonds14

About 7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-ethoxyphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one

7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-ethoxyphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one (PubChem CID 159730844) has the molecular formula C134H115F5N12O8 and a molecular weight of 2116.46 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-ethoxyphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one.

Molecular Properties

Compound Name7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-ethoxyphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one
PubChem CID159730844
Molecular FormulaC134H115F5N12O8
Molecular Weight2116.46 g/mol
Exact Mass2114.89
IUPAC Name7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-ethoxyphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one
SMILESCCOc1ccc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)cc1.COc1cc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)ccc1C.Cc1cc(C2=Nc3ccc(-c4cc(F)cc(F)c4)cc3CC(=O)C2)ccn1.Cc1ccc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)c(C(F)(F)F)c1.Cc1ccc2c(c1)CC(=O)CC(c1ccnc(C)c1)=N2.Cc1cccc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)c1
InChIInChI=1S/C24H19F3N2O.2C24H22N2O2.C23H20N2O.C22H16F2N2O.C17H16N2O/c1-14-3-5-20(21(9-14)24(25,26)27)16-4-6-22-18(11-16)12-19(30)13-23(29-22)17-7-8-28-15(2)10-17;1-15-4-5-18(13-24(15)28-3)17-6-7-22-20(11-17)12-21(27)14-23(26-22)19-8-9-25-16(2)10-19;1-3-28-22-7-4-17(5-8-22)18-6-9-23-20(13-18)14-21(27)15-24(26-23)19-10-11-25-16(2)12-19;1-15-4-3-5-17(10-15)18-6-7-22-20(12-18)13-21(26)14-23(25-22)19-8-9-24-16(2)11-19;1-13-6-15(4-5-25-13)22-12-20(27)10-17-7-14(2-3-21(17)26-22)16-8-18(23)11-19(24)9-16;1-11-3-4-16-14(7-11)9-15(20)10-17(19-16)13-5-6-18-12(2)8-13/h3-11H,12-13H2,1-2H3;4-11,13H,12,14H2,1-3H3;4-13H,3,14-15H2,1-2H3;3-12H,13-14H2,1-2H3;2-9,11H,10,12H2,1H3;3-8H,9-10H2,1-2H3
InChIKeyNBFGSKHALUBDHW-UHFFFAOYSA-N
XLogP29.43
TPSA272.38 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002116.46
LogP ≤ 529.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-ethoxyphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one with MolForge

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Launch Full Analysis

Related Compounds

cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 157114186
4-[2-[6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(2,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(4,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-fluoro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one
CID 157267525
3-Tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 157586124
2-tert-butylbenzonitrile;3-tert-butylbenzonitrile;4-tert-butylbenzonitrile;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-2-fluoropyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 157801975
1-[2-(Difluoromethoxy)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-(3-methoxy-4-methylphenyl)-3-(4-pyridin-4-ylphenyl)propan-2-one
CID 158081106
1,1'-Biphenyl;3,5-bis(3-methoxyphenyl)pyridine;dibenzofuran;1,2-dimethoxyethane;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;3-(3-phenylphenyl)pyridine;pyridine;3-pyridin-3-ylpyridine
CID 158259632
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;1-[(3-methoxyphenyl)methyl]-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one
CID 158463304
bis((3S)-4-ethoxy-1-(6-methoxy-3-pyridinyl)-3-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]butan-1-one);bis((3R)-4-ethoxy-1-(6-methoxy-3-pyridinyl)-3-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]butan-1-one)
CID 158631045
1-[2-(Difluoromethoxy)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-(3-methoxy-5-methylphenyl)-3-(4-pyridin-4-ylphenyl)propan-2-one
CID 158731585
3-Tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine
CID 158769619
1-[4-[3-[4-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-(trifluoromethyl)-3-pyridinyl]-4-methoxyphenyl]-3-methylphenyl]ethanone;1-[4-[5-[4-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-(trifluoromethyl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[6-methoxy-5-[2-[[(5S)-5-[3-methyl-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)phenyl]-3-pyridinyl]-3-methylphenyl]ethanone
CID 158952680
(3S,4R)-4-cyclopropyl-3-methyl-4-[2-[1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]-2,3,4,5-tetrahydro-1-benzoxepin-8-yl]butan-2-one;4-[4-[8-[(1S)-1-cyclopropyl-2-methylpropyl]-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]-3-fluorophenyl]-2-methylpyridine;4-[4-[8-[(1S)-1-cyclopropyl-2-methylpropyl]-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]phenyl]-5-fluoro-2-methylpyridine;4-[6-[8-[(1S)-1-cyclopropyl-2-methylpropyl]-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]-3-pyridinyl]-5-fluoro-2-methylpyridine;4-[2-[3-(2,6-dimethylphenyl)phenyl]-2,3,4,5-tetrahydro-1-benzoxepin-7-yl]butan-2-one;methane
CID 159057812

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-ethoxyphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one?
The IUPAC name of 7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-ethoxyphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one (CID 159730844) is 7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-ethoxyphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one.
What is the SMILES notation for 7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-ethoxyphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one?
The canonical SMILES for 7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-ethoxyphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one is CCOc1ccc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)cc1.COc1cc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)ccc1C.Cc1cc(C2=Nc3ccc(-c4cc(F)cc(F)c4)cc3CC(=O)C2)ccn1.Cc1ccc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)c(C(F)(F)F)c1.Cc1ccc2c(c1)CC(=O)CC(c1ccnc(C)c1)=N2.Cc1cccc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)c1.
What is the InChIKey of 7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-ethoxyphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one?
The InChIKey is NBFGSKHALUBDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O.2C24H22N2O2.C23H20N2O.C22H16F2N2O.C17H16N2O/c1-14-3-5-20(21(9-14)24(25,26)27)16-4-6-22-18(11-16)12-19(30)13-23(29-22)17-7-8-28-15(2)10-17;1-15-4-5-18(13-24(15)28-3)17-6-7-22-20(11-17)12-21(27)14-23(26-22)19-8-9-25-16(2)10-19;1-3-28-22-7-4-17(5-8-22)18-6-9-23-20(13-18)14-21(27)15-24(26-23)19-10-11-25-16(2)12-19;1-15-4-3-5-17(10-15)18-6-7-22-20(12-18)13-21(26)14-23(25-22)19-8-9-24-16(2)11-19;1-13-6-15(4-5-25-13)22-12-20(27)10-17-7-14(2-3-21(17)26-22)16-8-18(23)11-19(24)9-16;1-11-3-4-16-14(7-11)9-15(20)10-17(19-16)13-5-6-18-12(2)8-13/h3-11H,12-13H2,1-2H3;4-11,13H,12,14H2,1-3H3;4-13H,3,14-15H2,1-2H3;3-12H,13-14H2,1-2H3;2-9,11H,10,12H2,1H3;3-8H,9-10H2,1-2H3.
What are the key properties of 7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-ethoxyphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one?
7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-ethoxyphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one has a molecular weight of 2116.46 g/mol, XLogP of 29.43, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-ethoxyphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one is sourced from PubChem (CID 159730844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).