bis(2-amino-5-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylbenzamide);3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)phenyl]morpholin-3-one;4-[6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]morpholin-3-one;3-[4-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane;4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one

C158H171F3N26O13 — CID 158671652

IUPACbis(2-amino-5-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylbenzamide);3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)phenyl]morpholin-3-one;4-[6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]morpholin-3-one;3-[4-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane;4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one
SMILESC.CC1=C(C(F)(F)F)c2cc(-c3cccc(N4CCOCC4=O)n3)cnc2C1.CCC1=C(C)Cc2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc21.CCC1=C(C)Cc2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc21.CCC1=C(C)Cc2ncc(-c3ccc(N)c(C(=O)N(C)C)n3)cc21.CCC1=C(C)Cc2ncc(-c3ccc(N)c(C(=O)N4CC(O)C4)n3)cc21.CCC1=C(C)Cc2ncc(-c3cccc(N4CCOCC4=O)c3)cc21.CCC1=C(C)Cc2ncc(-c3cccc(N4CCOCC4=O)n3)cc21.CCC1=C(C)Cc2ncc(-c3ccnc(N4CCOC4=O)n3)cc21
InChIInChI=1S/C21H22N2O2.C20H22N4O2.C20H21N3O2.2C20H23N3O.C19H16F3N3O2.C19H22N4O.C18H18N4O2.CH4/c1-3-18-14(2)9-20-19(18)11-16(12-22-20)15-5-4-6-17(10-15)23-7-8-25-13-21(23)24;1-3-14-11(2)6-18-15(14)7-12(8-22-18)17-5-4-16(21)19(23-17)20(26)24-9-13(25)10-24;1-3-15-13(2)9-18-16(15)10-14(11-21-18)17-5-4-6-19(22-17)23-7-8-25-12-20(23)24;2*1-5-15-12(2)8-19-16(15)10-14(11-22-19)13-6-7-18(21)17(9-13)20(24)23(3)4;1-11-7-15-13(18(11)19(20,21)22)8-12(9-23-15)14-3-2-4-16(24-14)25-5-6-27-10-17(25)26;1-5-13-11(2)8-17-14(13)9-12(10-21-17)16-7-6-15(20)18(22-16)19(24)23(3)4;1-3-13-11(2)8-16-14(13)9-12(10-20-16)15-4-5-19-17(21-15)22-6-7-24-18(22)23;/h4-6,10-12H,3,7-9,13H2,1-2H3;4-5,7-8,13,25H,3,6,9-10,21H2,1-2H3;4-6,10-11H,3,7-9,12H2,1-2H3;2*6-7,9-11H,5,8,21H2,1-4H3;2-4,8-9H,5-7,10H2,1H3;6-7,9-10H,5,8,20H2,1-4H3;4-5,9-10H,3,6-8H2,1-2H3;1H4
InChIKeyIEAHPQRTISQOPD-UHFFFAOYSA-N
MW2699.27 g/mol
LogP27.36
Rot. Bonds23

About bis(2-amino-5-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylbenzamide);3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)phenyl]morpholin-3-one;4-[6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]morpholin-3-one;3-[4-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane;4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one

bis(2-amino-5-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylbenzamide);3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)phenyl]morpholin-3-one;4-[6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]morpholin-3-one;3-[4-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane;4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one (PubChem CID 158671652) has the molecular formula C158H171F3N26O13 and a molecular weight of 2699.27 g/mol. Its IUPAC name is bis(2-amino-5-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylbenzamide);3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)phenyl]morpholin-3-one;4-[6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]morpholin-3-one;3-[4-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane;4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one.

Molecular Properties

Compound Namebis(2-amino-5-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylbenzamide);3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)phenyl]morpholin-3-one;4-[6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]morpholin-3-one;3-[4-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane;4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one
PubChem CID158671652
Molecular FormulaC158H171F3N26O13
Molecular Weight2699.27 g/mol
Exact Mass2697.35
IUPAC Namebis(2-amino-5-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylbenzamide);3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)phenyl]morpholin-3-one;4-[6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]morpholin-3-one;3-[4-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane;4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one
SMILESC.CC1=C(C(F)(F)F)c2cc(-c3cccc(N4CCOCC4=O)n3)cnc2C1.CCC1=C(C)Cc2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc21.CCC1=C(C)Cc2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc21.CCC1=C(C)Cc2ncc(-c3ccc(N)c(C(=O)N(C)C)n3)cc21.CCC1=C(C)Cc2ncc(-c3ccc(N)c(C(=O)N4CC(O)C4)n3)cc21.CCC1=C(C)Cc2ncc(-c3cccc(N4CCOCC4=O)c3)cc21.CCC1=C(C)Cc2ncc(-c3cccc(N4CCOCC4=O)n3)cc21.CCC1=C(C)Cc2ncc(-c3ccnc(N4CCOC4=O)n3)cc21
InChIInChI=1S/C21H22N2O2.C20H22N4O2.C20H21N3O2.2C20H23N3O.C19H16F3N3O2.C19H22N4O.C18H18N4O2.CH4/c1-3-18-14(2)9-20-19(18)11-16(12-22-20)15-5-4-6-17(10-15)23-7-8-25-13-21(23)24;1-3-14-11(2)6-18-15(14)7-12(8-22-18)17-5-4-16(21)19(23-17)20(26)24-9-13(25)10-24;1-3-15-13(2)9-18-16(15)10-14(11-21-18)17-5-4-6-19(22-17)23-7-8-25-12-20(23)24;2*1-5-15-12(2)8-19-16(15)10-14(11-22-19)13-6-7-18(21)17(9-13)20(24)23(3)4;1-11-7-15-13(18(11)19(20,21)22)8-12(9-23-15)14-3-2-4-16(24-14)25-5-6-27-10-17(25)26;1-5-13-11(2)8-17-14(13)9-12(10-21-17)16-7-6-15(20)18(22-16)19(24)23(3)4;1-3-13-11(2)8-16-14(13)9-12(10-20-16)15-4-5-19-17(21-15)22-6-7-24-18(22)23;/h4-6,10-12H,3,7-9,13H2,1-2H3;4-5,7-8,13,25H,3,6,9-10,21H2,1-2H3;4-6,10-11H,3,7-9,12H2,1-2H3;2*6-7,9-11H,5,8,21H2,1-4H3;2-4,8-9H,5-7,10H2,1H3;6-7,9-10H,5,8,20H2,1-4H3;4-5,9-10H,3,6-8H2,1-2H3;1H4
InChIKeyIEAHPQRTISQOPD-UHFFFAOYSA-N
XLogP27.36
TPSA504.17 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds23
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002699.27
LogP ≤ 527.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze bis(2-amino-5-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylbenzamide);3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)phenyl]morpholin-3-one;4-[6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]morpholin-3-one;3-[4-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane;4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,1-difluoroethyl)-N-[3-[2-ethoxy-6-[2-[[methyl-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]pyridin-3-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]morpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425772
2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide;3-amino-N,N-dimethyl-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]pyridine-2-carboxamide;[2-[3-amino-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-3-pyridinyl]methanol;4-[3-amino-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one;4-[3-[6-ethyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;4-[3-[5-(2-fluoroethyl)-6-methyl-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;methane;[4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-yl]methanol
CID 157139943
2-(1,1-difluoroethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[2-(4-ethylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 157692105
2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide;3-amino-N,N-dimethyl-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]pyridine-2-carboxamide;[2-[3-amino-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-3-pyridinyl]methanol;4-[3-amino-6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one;3-[4-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one
CID 160310534
2-amino-N,N-dimethyl-5-(6-methyl-7H-cyclopenta[b]pyridin-3-yl)benzamide;4-[3-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)phenyl]morpholin-3-one;4-[3-[6-ethyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;4-[3-[5-(2-fluoroethyl)-6-methyl-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;[4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-yl]methanol;1-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]piperidin-2-one
CID 161937302
2-amino-N,N-dimethyl-5-(6-methyl-7H-cyclopenta[b]pyridin-3-yl)benzamide;6-amino-3-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-fluoro-N,N-dimethylbenzamide;2-amino-5-[5-(2-hydroxyethyl)-6-methyl-7H-cyclopenta[b]pyridin-3-yl]-N,N-dimethylbenzamide;4-[3-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)phenyl]morpholin-3-one;4-[3-[5-(2-hydroxyethyl)-6-methyl-7H-cyclopenta[b]pyridin-3-yl]phenyl]morpholin-3-one;methane;1-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]piperidin-2-one
CID 161990434
bis(2-amino-5-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylbenzamide);3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylpyridine-2-carboxamide;[2-amino-5-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)phenyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)phenyl]morpholin-3-one;4-[6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]morpholin-3-one
CID 158022807
bis(2-amino-5-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide);3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane
CID 160681439

Frequently Asked Questions

What is the IUPAC name of bis(2-amino-5-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylbenzamide);3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)phenyl]morpholin-3-one;4-[6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]morpholin-3-one;3-[4-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane;4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one?
The IUPAC name of bis(2-amino-5-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylbenzamide);3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)phenyl]morpholin-3-one;4-[6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]morpholin-3-one;3-[4-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane;4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one (CID 158671652) is bis(2-amino-5-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylbenzamide);3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)phenyl]morpholin-3-one;4-[6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]morpholin-3-one;3-[4-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane;4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one.
What is the SMILES notation for bis(2-amino-5-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylbenzamide);3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)phenyl]morpholin-3-one;4-[6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]morpholin-3-one;3-[4-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane;4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one?
The canonical SMILES for bis(2-amino-5-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylbenzamide);3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)phenyl]morpholin-3-one;4-[6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]morpholin-3-one;3-[4-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane;4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one is C.CC1=C(C(F)(F)F)c2cc(-c3cccc(N4CCOCC4=O)n3)cnc2C1.CCC1=C(C)Cc2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc21.CCC1=C(C)Cc2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc21.CCC1=C(C)Cc2ncc(-c3ccc(N)c(C(=O)N(C)C)n3)cc21.CCC1=C(C)Cc2ncc(-c3ccc(N)c(C(=O)N4CC(O)C4)n3)cc21.CCC1=C(C)Cc2ncc(-c3cccc(N4CCOCC4=O)c3)cc21.CCC1=C(C)Cc2ncc(-c3cccc(N4CCOCC4=O)n3)cc21.CCC1=C(C)Cc2ncc(-c3ccnc(N4CCOC4=O)n3)cc21.
What is the InChIKey of bis(2-amino-5-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylbenzamide);3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)phenyl]morpholin-3-one;4-[6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]morpholin-3-one;3-[4-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane;4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one?
The InChIKey is IEAHPQRTISQOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2.C20H22N4O2.C20H21N3O2.2C20H23N3O.C19H16F3N3O2.C19H22N4O.C18H18N4O2.CH4/c1-3-18-14(2)9-20-19(18)11-16(12-22-20)15-5-4-6-17(10-15)23-7-8-25-13-21(23)24;1-3-14-11(2)6-18-15(14)7-12(8-22-18)17-5-4-16(21)19(23-17)20(26)24-9-13(25)10-24;1-3-15-13(2)9-18-16(15)10-14(11-21-18)17-5-4-6-19(22-17)23-7-8-25-12-20(23)24;2*1-5-15-12(2)8-19-16(15)10-14(11-22-19)13-6-7-18(21)17(9-13)20(24)23(3)4;1-11-7-15-13(18(11)19(20,21)22)8-12(9-23-15)14-3-2-4-16(24-14)25-5-6-27-10-17(25)26;1-5-13-11(2)8-17-14(13)9-12(10-21-17)16-7-6-15(20)18(22-16)19(24)23(3)4;1-3-13-11(2)8-16-14(13)9-12(10-20-16)15-4-5-19-17(21-15)22-6-7-24-18(22)23;/h4-6,10-12H,3,7-9,13H2,1-2H3;4-5,7-8,13,25H,3,6,9-10,21H2,1-2H3;4-6,10-11H,3,7-9,12H2,1-2H3;2*6-7,9-11H,5,8,21H2,1-4H3;2-4,8-9H,5-7,10H2,1H3;6-7,9-10H,5,8,20H2,1-4H3;4-5,9-10H,3,6-8H2,1-2H3;1H4.
What are the key properties of bis(2-amino-5-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylbenzamide);3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)phenyl]morpholin-3-one;4-[6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]morpholin-3-one;3-[4-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane;4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one?
bis(2-amino-5-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylbenzamide);3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)phenyl]morpholin-3-one;4-[6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]morpholin-3-one;3-[4-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane;4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one has a molecular weight of 2699.27 g/mol, XLogP of 27.36, 23 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-amino-5-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylbenzamide);3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)phenyl]morpholin-3-one;4-[6-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]morpholin-3-one;3-[4-(5-ethyl-6-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane;4-[6-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]morpholin-3-one is sourced from PubChem (CID 158671652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).