1-cyclopropyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]methanamine;N,N-dimethyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(fluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(2-methylpropoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol;4-[4-[6-(piperidin-1-ylmethyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine

C141H162FN25O10 — CID 159199086

IUPAC1-cyclopropyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]methanamine;N,N-dimethyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(fluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(2-methylpropoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol;4-[4-[6-(piperidin-1-ylmethyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
SMILESCC(C)COc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.CN(C)Cc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.CNCc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.FCOc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.OCc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.c1cc(C2=NCc3ccc(CN4CCCCC4)cc32)cc(N2CCOCC2)n1.c1cc(C2=NCc3ccc(CNCC4CC4)cc32)cc(N2CCOCC2)n1
InChIInChI=1S/C23H28N4O.C22H26N4O.C21H25N3O2.C20H24N4O.C19H22N4O.C18H18FN3O2.C18H19N3O2/c1-2-8-26(9-3-1)17-18-4-5-20-16-25-23(21(20)14-18)19-6-7-24-22(15-19)27-10-12-28-13-11-27;1-2-16(1)13-23-14-17-3-4-19-15-25-22(20(19)11-17)18-5-6-24-21(12-18)26-7-9-27-10-8-26;1-15(2)14-26-18-4-3-17-13-23-21(19(17)12-18)16-5-6-22-20(11-16)24-7-9-25-10-8-24;1-23(2)14-15-3-4-17-13-22-20(18(17)11-15)16-5-6-21-19(12-16)24-7-9-25-10-8-24;1-20-12-14-2-3-16-13-22-19(17(16)10-14)15-4-5-21-18(11-15)23-6-8-24-9-7-23;19-12-24-15-2-1-14-11-21-18(16(14)10-15)13-3-4-20-17(9-13)22-5-7-23-8-6-22;22-12-13-1-2-15-11-20-18(16(15)9-13)14-3-4-19-17(10-14)21-5-7-23-8-6-21/h4-7,14-15H,1-3,8-13,16-17H2;3-6,11-12,16,23H,1-2,7-10,13-15H2;3-6,11-12,15H,7-10,13-14H2,1-2H3;3-6,11-12H,7-10,13-14H2,1-2H3;2-5,10-11,20H,6-9,12-13H2,1H3;1-4,9-10H,5-8,11-12H2;1-4,9-10,22H,5-8,11-12H2
InChIKeyKPAVTZXHEZJBPK-UHFFFAOYSA-N
MW2386.01 g/mol
LogP17.98
Rot. Bonds30

About 1-cyclopropyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]methanamine;N,N-dimethyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(fluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(2-methylpropoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol;4-[4-[6-(piperidin-1-ylmethyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine

1-cyclopropyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]methanamine;N,N-dimethyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(fluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(2-methylpropoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol;4-[4-[6-(piperidin-1-ylmethyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine (PubChem CID 159199086) has the molecular formula C141H162FN25O10 and a molecular weight of 2386.01 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]methanamine;N,N-dimethyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(fluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(2-methylpropoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol;4-[4-[6-(piperidin-1-ylmethyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]methanamine;N,N-dimethyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(fluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(2-methylpropoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol;4-[4-[6-(piperidin-1-ylmethyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
PubChem CID159199086
Molecular FormulaC141H162FN25O10
Molecular Weight2386.01 g/mol
Exact Mass2384.29
IUPAC Name1-cyclopropyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]methanamine;N,N-dimethyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(fluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(2-methylpropoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol;4-[4-[6-(piperidin-1-ylmethyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
SMILESCC(C)COc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.CN(C)Cc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.CNCc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.FCOc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.OCc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.c1cc(C2=NCc3ccc(CN4CCCCC4)cc32)cc(N2CCOCC2)n1.c1cc(C2=NCc3ccc(CNCC4CC4)cc32)cc(N2CCOCC2)n1
InChIInChI=1S/C23H28N4O.C22H26N4O.C21H25N3O2.C20H24N4O.C19H22N4O.C18H18FN3O2.C18H19N3O2/c1-2-8-26(9-3-1)17-18-4-5-20-16-25-23(21(20)14-18)19-6-7-24-22(15-19)27-10-12-28-13-11-27;1-2-16(1)13-23-14-17-3-4-19-15-25-22(20(19)11-17)18-5-6-24-21(12-18)26-7-9-27-10-8-26;1-15(2)14-26-18-4-3-17-13-23-21(19(17)12-18)16-5-6-22-20(11-16)24-7-9-25-10-8-24;1-23(2)14-15-3-4-17-13-22-20(18(17)11-15)16-5-6-21-19(12-16)24-7-9-25-10-8-24;1-20-12-14-2-3-16-13-22-19(17(16)10-14)15-4-5-21-18(11-15)23-6-8-24-9-7-23;19-12-24-15-2-1-14-11-21-18(16(14)10-15)13-3-4-20-17(9-13)22-5-7-23-8-6-22;22-12-13-1-2-15-11-20-18(16(15)9-13)14-3-4-19-17(10-14)21-5-7-23-8-6-21/h4-7,14-15H,1-3,8-13,16-17H2;3-6,11-12,16,23H,1-2,7-10,13-15H2;3-6,11-12,15H,7-10,13-14H2,1-2H3;3-6,11-12H,7-10,13-14H2,1-2H3;2-5,10-11,20H,6-9,12-13H2,1H3;1-4,9-10H,5-8,11-12H2;1-4,9-10,22H,5-8,11-12H2
InChIKeyKPAVTZXHEZJBPK-UHFFFAOYSA-N
XLogP17.98
TPSA333.27 Ų
H-Bond Donors3
H-Bond Acceptors35
Rotatable Bonds30
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002386.01
LogP ≤ 517.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1035

Analyze 1-cyclopropyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]methanamine;N,N-dimethyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(fluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(2-methylpropoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol;4-[4-[6-(piperidin-1-ylmethyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine 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

3-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;3-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;3-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole
CID 159116653
5-cyclopropyloxy-3-[2-(4-cyclopropylpiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-cyclopropyloxy-3-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-1H-isoindole;4-[4-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]-2-pyridinyl]morpholine;(2S)-2-methyl-4-[4-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]-2-pyridinyl]morpholine;(2R)-2-methyl-4-[4-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]-2-pyridinyl]morpholine
CID 159122504
3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;N-(2-methoxyethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine
CID 159400339
3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;3-[2-(azetidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;3-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile;3-(2-piperidin-1-yl-4-pyridinyl)-5-(trifluoromethoxy)-1H-isoindole;1-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]piperidin-4-ol
CID 161767533
3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;2,2,3,3,5,5,6,6-octadeuterio-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 157245089
dicesium;fluorochloranuidylmethane;bis(4-[4-[6-(fluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine);hydride;methane;3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-ol;oxido formate
CID 157295848
cumene;N,N-diethyl-5-propan-2-ylpyridin-2-amine;N,N-diethyl-6-propan-2-ylpyridin-2-amine;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;N-(2-methylpropyl)-5-propan-2-ylpyridin-2-amine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-5-propan-2-ylpyridine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine
CID 157387753
cumene;N,N-diethyl-5-propan-2-ylpyridin-2-amine;N,N-diethyl-6-propan-2-ylpyridin-2-amine;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;N-(2-methylpropyl)-5-propan-2-ylpyridin-2-amine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-5-propan-2-ylpyridine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine
CID 157561753
N-(2,3-dihydro-1H-inden-2-yl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;1-[3-[2-[2-(2-hydroxyethyl)morpholin-4-yl]-4-pyridinyl]-1H-isoindol-5-yl]ethanol;2-[4-[4-[6-(hydroxymethyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholin-2-yl]ethanol;4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]ethanol;4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]amino]propan-1-ol
CID 157610595
cumene;N,N-diethyl-6-propan-2-ylpyridin-2-amine;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-5-propan-2-ylpyridine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine
CID 157884556
2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-pyridin-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(6-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-pyridin-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine
CID 157954524
3-(2-fluoro-4-pyridinyl)-1H-isoindol-5-ol;morpholine;3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-ol
CID 158035972

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]methanamine;N,N-dimethyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(fluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(2-methylpropoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol;4-[4-[6-(piperidin-1-ylmethyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine?
The IUPAC name of 1-cyclopropyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]methanamine;N,N-dimethyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(fluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(2-methylpropoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol;4-[4-[6-(piperidin-1-ylmethyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine (CID 159199086) is 1-cyclopropyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]methanamine;N,N-dimethyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(fluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(2-methylpropoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol;4-[4-[6-(piperidin-1-ylmethyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 1-cyclopropyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]methanamine;N,N-dimethyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(fluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(2-methylpropoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol;4-[4-[6-(piperidin-1-ylmethyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 1-cyclopropyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]methanamine;N,N-dimethyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(fluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(2-methylpropoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol;4-[4-[6-(piperidin-1-ylmethyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine is CC(C)COc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.CN(C)Cc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.CNCc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.FCOc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.OCc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.c1cc(C2=NCc3ccc(CN4CCCCC4)cc32)cc(N2CCOCC2)n1.c1cc(C2=NCc3ccc(CNCC4CC4)cc32)cc(N2CCOCC2)n1.
What is the InChIKey of 1-cyclopropyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]methanamine;N,N-dimethyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(fluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(2-methylpropoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol;4-[4-[6-(piperidin-1-ylmethyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine?
The InChIKey is KPAVTZXHEZJBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O.C22H26N4O.C21H25N3O2.C20H24N4O.C19H22N4O.C18H18FN3O2.C18H19N3O2/c1-2-8-26(9-3-1)17-18-4-5-20-16-25-23(21(20)14-18)19-6-7-24-22(15-19)27-10-12-28-13-11-27;1-2-16(1)13-23-14-17-3-4-19-15-25-22(20(19)11-17)18-5-6-24-21(12-18)26-7-9-27-10-8-26;1-15(2)14-26-18-4-3-17-13-23-21(19(17)12-18)16-5-6-22-20(11-16)24-7-9-25-10-8-24;1-23(2)14-15-3-4-17-13-22-20(18(17)11-15)16-5-6-21-19(12-16)24-7-9-25-10-8-24;1-20-12-14-2-3-16-13-22-19(17(16)10-14)15-4-5-21-18(11-15)23-6-8-24-9-7-23;19-12-24-15-2-1-14-11-21-18(16(14)10-15)13-3-4-20-17(9-13)22-5-7-23-8-6-22;22-12-13-1-2-15-11-20-18(16(15)9-13)14-3-4-19-17(10-14)21-5-7-23-8-6-21/h4-7,14-15H,1-3,8-13,16-17H2;3-6,11-12,16,23H,1-2,7-10,13-15H2;3-6,11-12,15H,7-10,13-14H2,1-2H3;3-6,11-12H,7-10,13-14H2,1-2H3;2-5,10-11,20H,6-9,12-13H2,1H3;1-4,9-10H,5-8,11-12H2;1-4,9-10,22H,5-8,11-12H2.
What are the key properties of 1-cyclopropyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]methanamine;N,N-dimethyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(fluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(2-methylpropoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol;4-[4-[6-(piperidin-1-ylmethyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine?
1-cyclopropyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]methanamine;N,N-dimethyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(fluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(2-methylpropoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol;4-[4-[6-(piperidin-1-ylmethyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine has a molecular weight of 2386.01 g/mol, XLogP of 17.98, 30 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]methanamine;N,N-dimethyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(fluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(2-methylpropoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol;4-[4-[6-(piperidin-1-ylmethyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 159199086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).