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

C93H79F21N16O6 — CID 159116653

IUPAC3-[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
SMILESCOC1CN(c2cc(C3=NCc4ccc(OC(F)(F)F)cc43)ccn2)C1.FC(F)(F)Oc1ccc2c(c1)C(c1ccnc(N3CCN(C4CC4)CC3)c1)=NC2.FC1(F)CCN(c2cc(C3=NCc4ccc(OC(F)(F)F)cc43)ccn2)C1.FC1(F)CCN(c2cc(C3=NCc4ccc(OC(F)(F)F)cc43)ccn2)CC1.FC1(F)CN(c2cc(C3=NCc4ccc(OC(F)(F)F)cc43)ccn2)C1
InChIInChI=1S/C21H21F3N4O.C19H16F5N3O.C18H14F5N3O.C18H16F3N3O2.C17H12F5N3O/c22-21(23,24)29-17-4-1-15-13-26-20(18(15)12-17)14-5-6-25-19(11-14)28-9-7-27(8-10-28)16-2-3-16;20-18(21)4-7-27(8-5-18)16-9-12(3-6-25-16)17-15-10-14(28-19(22,23)24)2-1-13(15)11-26-17;19-17(20)4-6-26(10-17)15-7-11(3-5-24-15)16-14-8-13(27-18(21,22)23)2-1-12(14)9-25-16;1-25-14-9-24(10-14)16-6-11(4-5-22-16)17-15-7-13(26-18(19,20)21)3-2-12(15)8-23-17;18-16(19)8-25(9-16)14-5-10(3-4-23-14)15-13-6-12(26-17(20,21)22)2-1-11(13)7-24-15/h1,4-6,11-12,16H,2-3,7-10,13H2;1-3,6,9-10H,4-5,7-8,11H2;1-3,5,7-8H,4,6,9-10H2;2-7,14H,8-10H2,1H3;1-6H,7-9H2
InChIKeyKFEFRFGLYKBCHX-UHFFFAOYSA-N
MW1915.72 g/mol
LogP19.31
Rot. Bonds17

About 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

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 (PubChem CID 159116653) has the molecular formula C93H79F21N16O6 and a molecular weight of 1915.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID159116653
Molecular FormulaC93H79F21N16O6
Molecular Weight1915.72 g/mol
Exact Mass1914.60
IUPAC Name3-[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
SMILESCOC1CN(c2cc(C3=NCc4ccc(OC(F)(F)F)cc43)ccn2)C1.FC(F)(F)Oc1ccc2c(c1)C(c1ccnc(N3CCN(C4CC4)CC3)c1)=NC2.FC1(F)CCN(c2cc(C3=NCc4ccc(OC(F)(F)F)cc43)ccn2)C1.FC1(F)CCN(c2cc(C3=NCc4ccc(OC(F)(F)F)cc43)ccn2)CC1.FC1(F)CN(c2cc(C3=NCc4ccc(OC(F)(F)F)cc43)ccn2)C1
InChIInChI=1S/C21H21F3N4O.C19H16F5N3O.C18H14F5N3O.C18H16F3N3O2.C17H12F5N3O/c22-21(23,24)29-17-4-1-15-13-26-20(18(15)12-17)14-5-6-25-19(11-14)28-9-7-27(8-10-28)16-2-3-16;20-18(21)4-7-27(8-5-18)16-9-12(3-6-25-16)17-15-10-14(28-19(22,23)24)2-1-13(15)11-26-17;19-17(20)4-6-26(10-17)15-7-11(3-5-24-15)16-14-8-13(27-18(21,22)23)2-1-12(14)9-25-16;1-25-14-9-24(10-14)16-6-11(4-5-22-16)17-15-7-13(26-18(19,20)21)3-2-12(15)8-23-17;18-16(19)8-25(9-16)14-5-10(3-4-23-14)15-13-6-12(26-17(20,21)22)2-1-11(13)7-24-15/h1,4-6,11-12,16H,2-3,7-10,13H2;1-3,6,9-10H,4-5,7-8,11H2;1-3,5,7-8H,4,6,9-10H2;2-7,14H,8-10H2,1H3;1-6H,7-9H2
InChIKeyKFEFRFGLYKBCHX-UHFFFAOYSA-N
XLogP19.31
TPSA201.07 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001915.72
LogP ≤ 519.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Related Compounds

3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;2-(methoxymethyl)-4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(3S,5R)-4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-3,5-dimethylmorpholine;(3S)-4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-3-methylmorpholine
CID 157507598
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
N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;6-(3-ethylpiperazin-1-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine
CID 159835480
3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;2,2,3,3,5,5,6,6-octadeuterio-4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]azetidine-3-carboxylic acid;3-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane;8-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane;6-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane;1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol
CID 160127188
3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;3-(2-pyrrolidin-1-yl-4-pyridinyl)-5-(trifluoromethoxy)-1H-isoindole;3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole
CID 160143373
3-[6-[(3R)-4-(1-cyclopropylpropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-4-(1,1-difluoropropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-4-(1-methoxypropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[(3R)-3-methyl-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole
CID 160334125
5-cyclopropyloxy-3-[2-(3,3-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-cyclopropyloxy-3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1H-isoindole;7-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;(3S)-1-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-cyclopropyloxy-3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-1H-isoindole
CID 161220829
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
N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(2-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(3-methoxypyrrolidin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(2-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(3-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine
CID 157361015
(2R,6S)-4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine;(2S)-4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;(2R)-4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;6-fluoro-5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 157413623
N-(cyclopropylmethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;N-cyclopropyl-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;N-(2-methoxyethyl)-N-methyl-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;N-(oxolan-2-ylmethyl)-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;4-(6-propan-2-yloxy-3H-isoindol-1-yl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine;4-(6-propan-2-yloxy-3H-isoindol-1-yl)-N-(pyridin-2-ylmethyl)pyridin-2-amine;[1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]piperidin-3-yl]methanol
CID 158321343

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC1CN(c2cc(C3=NCc4ccc(OC(F)(F)F)cc43)ccn2)C1.FC(F)(F)Oc1ccc2c(c1)C(c1ccnc(N3CCN(C4CC4)CC3)c1)=NC2.FC1(F)CCN(c2cc(C3=NCc4ccc(OC(F)(F)F)cc43)ccn2)C1.FC1(F)CCN(c2cc(C3=NCc4ccc(OC(F)(F)F)cc43)ccn2)CC1.FC1(F)CN(c2cc(C3=NCc4ccc(OC(F)(F)F)cc43)ccn2)C1.
What is the InChIKey of 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?
The InChIKey is KFEFRFGLYKBCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O.C19H16F5N3O.C18H14F5N3O.C18H16F3N3O2.C17H12F5N3O/c22-21(23,24)29-17-4-1-15-13-26-20(18(15)12-17)14-5-6-25-19(11-14)28-9-7-27(8-10-28)16-2-3-16;20-18(21)4-7-27(8-5-18)16-9-12(3-6-25-16)17-15-10-14(28-19(22,23)24)2-1-13(15)11-26-17;19-17(20)4-6-26(10-17)15-7-11(3-5-24-15)16-14-8-13(27-18(21,22)23)2-1-12(14)9-25-16;1-25-14-9-24(10-14)16-6-11(4-5-22-16)17-15-7-13(26-18(19,20)21)3-2-12(15)8-23-17;18-16(19)8-25(9-16)14-5-10(3-4-23-14)15-13-6-12(26-17(20,21)22)2-1-11(13)7-24-15/h1,4-6,11-12,16H,2-3,7-10,13H2;1-3,6,9-10H,4-5,7-8,11H2;1-3,5,7-8H,4,6,9-10H2;2-7,14H,8-10H2,1H3;1-6H,7-9H2.
What are the key properties of 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?
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 has a molecular weight of 1915.72 g/mol, XLogP of 19.31, 17 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159116653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).