7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine

C123H131F11N32O11S — CID 161011219

IUPAC7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine
SMILESCC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCN(C3CCS(=O)(=O)C3)CC2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCOC(C(F)(F)F)C2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCn3nc(C(F)(F)F)nc3C2C)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCn3ncnc3C2)ncn1.COCC(=O)N1CCN(c2cc(C3=NCc4cc(F)c(OC(C)C)cc43)ncn2)CC1.c1ccc2c(c1)CN=C2c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C23H28FN5O3S.C22H21F4N7O.C22H26FN5O3.C20H20F4N4O2.C20H20FN7O.C16H16N4O/c1-15(2)32-21-10-18-16(9-19(21)24)12-25-23(18)20-11-22(27-14-26-20)29-6-4-28(5-7-29)17-3-8-33(30,31)13-17;1-11(2)34-17-7-14-13(6-15(17)23)9-27-19(14)16-8-18(29-10-28-16)32-4-5-33-20(12(32)3)30-21(31-33)22(24,25)26;1-14(2)31-19-9-16-15(8-17(19)23)11-24-22(16)18-10-20(26-13-25-18)27-4-6-28(7-5-27)21(29)12-30-3;1-11(2)30-16-6-13-12(5-14(16)21)8-25-19(13)15-7-18(27-10-26-15)28-3-4-29-17(9-28)20(22,23)24;1-12(2)29-17-6-14-13(5-15(17)21)8-22-20(14)16-7-18(24-10-23-16)27-3-4-28-19(9-27)25-11-26-28;1-2-4-13-12(3-1)10-17-16(13)14-9-15(19-11-18-14)20-5-7-21-8-6-20/h9-11,14-15,17H,3-8,12-13H2,1-2H3;6-8,10-12H,4-5,9H2,1-3H3;8-10,13-14H,4-7,11-12H2,1-3H3;5-7,10-11,17H,3-4,8-9H2,1-2H3;5-7,10-12H,3-4,8-9H2,1-2H3;1-4,9,11H,5-8,10H2
InChIKeyTXDHEIXCURBBNB-UHFFFAOYSA-N
MW2474.66 g/mol
LogP15.61
Rot. Bonds25

About 7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine

7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine (PubChem CID 161011219) has the molecular formula C123H131F11N32O11S and a molecular weight of 2474.66 g/mol. Its IUPAC name is 7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine
PubChem CID161011219
Molecular FormulaC123H131F11N32O11S
Molecular Weight2474.66 g/mol
Exact Mass2473.02
IUPAC Name7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine
SMILESCC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCN(C3CCS(=O)(=O)C3)CC2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCOC(C(F)(F)F)C2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCn3nc(C(F)(F)F)nc3C2C)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCn3ncnc3C2)ncn1.COCC(=O)N1CCN(c2cc(C3=NCc4cc(F)c(OC(C)C)cc43)ncn2)CC1.c1ccc2c(c1)CN=C2c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C23H28FN5O3S.C22H21F4N7O.C22H26FN5O3.C20H20F4N4O2.C20H20FN7O.C16H16N4O/c1-15(2)32-21-10-18-16(9-19(21)24)12-25-23(18)20-11-22(27-14-26-20)29-6-4-28(5-7-29)17-3-8-33(30,31)13-17;1-11(2)34-17-7-14-13(6-15(17)23)9-27-19(14)16-8-18(29-10-28-16)32-4-5-33-20(12(32)3)30-21(31-33)22(24,25)26;1-14(2)31-19-9-16-15(8-17(19)23)11-24-22(16)18-10-20(26-13-25-18)27-4-6-28(7-5-27)21(29)12-30-3;1-11(2)30-16-6-13-12(5-14(16)21)8-25-19(13)15-7-18(27-10-26-15)28-3-4-29-17(9-28)20(22,23)24;1-12(2)29-17-6-14-13(5-15(17)21)8-22-20(14)16-7-18(24-10-23-16)27-3-4-28-19(9-27)25-11-26-28;1-2-4-13-12(3-1)10-17-16(13)14-9-15(19-11-18-14)20-5-7-21-8-6-20/h9-11,14-15,17H,3-8,12-13H2,1-2H3;6-8,10-12H,4-5,9H2,1-3H3;8-10,13-14H,4-7,11-12H2,1-3H3;5-7,10-11,17H,3-4,8-9H2,1-2H3;5-7,10-12H,3-4,8-9H2,1-2H3;1-4,9,11H,5-8,10H2
InChIKeyTXDHEIXCURBBNB-UHFFFAOYSA-N
XLogP15.61
TPSA441.23 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds25
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002474.66
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

(2R)-4-[6-[6-(3-ethyloxetan-3-yl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;7-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;8-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane;1-[4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone
CID 158909094
2-cyclopropyl-5-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide
CID 159436890
5,5-dimethyl-7-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-3-(trifluoromethyl)-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine;9-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-6-oxa-9-azaspiro[4.5]decane;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(phenoxymethyl)morpholine;3-[4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine
CID 160670058
(2S,6R)-2,6-dimethyl-4-[6-[6-[(3S)-oxolan-3-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;3-[4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;[(3S)-1-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine
CID 160898868
3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;1-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide
CID 161129114
3-[6-(3,3-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;3-[6-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;(3S,5R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3,5-dimethylmorpholine;(3R,5R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3,5-dimethylmorpholine;(3R)-4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-3-methylmorpholine
CID 162161168
5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(2-methylsulfonylethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol;4-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]morpholine;1-[5-[5-[2-(3-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]-N,N-dimethylmethanamine
CID 157098284
ethyl 4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazine-1-carboxylate;[4-fluoro-1-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperidin-4-yl]methanol;(3S)-1-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;(3S,4S)-1-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-4-methoxypyrrolidin-3-ol;4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 157691858
(E)-1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]but-2-en-1-one;(E)-1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-methoxybut-2-en-1-one;1-(1-ethenylsulfonylpiperidin-3-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157735524
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1-oxide;5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-isoindole
CID 158041474
3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;7-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-4-oxa-7-azaspiro[2.5]octane;5-(1-methylcyclopropyl)oxy-3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;1-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one
CID 158281795
(2R,6S)-2,6-dimethyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(2R,6S)-4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;1-(2-fluoroethyl)-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 158283130

Frequently Asked Questions

What is the IUPAC name of 7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine (CID 161011219) is 7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine is CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCN(C3CCS(=O)(=O)C3)CC2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCOC(C(F)(F)F)C2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCn3nc(C(F)(F)F)nc3C2C)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCn3ncnc3C2)ncn1.COCC(=O)N1CCN(c2cc(C3=NCc4cc(F)c(OC(C)C)cc43)ncn2)CC1.c1ccc2c(c1)CN=C2c1cc(N2CCOCC2)ncn1.
What is the InChIKey of 7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine?
The InChIKey is TXDHEIXCURBBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O3S.C22H21F4N7O.C22H26FN5O3.C20H20F4N4O2.C20H20FN7O.C16H16N4O/c1-15(2)32-21-10-18-16(9-19(21)24)12-25-23(18)20-11-22(27-14-26-20)29-6-4-28(5-7-29)17-3-8-33(30,31)13-17;1-11(2)34-17-7-14-13(6-15(17)23)9-27-19(14)16-8-18(29-10-28-16)32-4-5-33-20(12(32)3)30-21(31-33)22(24,25)26;1-14(2)31-19-9-16-15(8-17(19)23)11-24-22(16)18-10-20(26-13-25-18)27-4-6-28(7-5-27)21(29)12-30-3;1-11(2)30-16-6-13-12(5-14(16)21)8-25-19(13)15-7-18(27-10-26-15)28-3-4-29-17(9-28)20(22,23)24;1-12(2)29-17-6-14-13(5-15(17)21)8-22-20(14)16-7-18(24-10-23-16)27-3-4-28-19(9-27)25-11-26-28;1-2-4-13-12(3-1)10-17-16(13)14-9-15(19-11-18-14)20-5-7-21-8-6-20/h9-11,14-15,17H,3-8,12-13H2,1-2H3;6-8,10-12H,4-5,9H2,1-3H3;8-10,13-14H,4-7,11-12H2,1-3H3;5-7,10-11,17H,3-4,8-9H2,1-2H3;5-7,10-12H,3-4,8-9H2,1-2H3;1-4,9,11H,5-8,10H2.
What are the key properties of 7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine?
7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine has a molecular weight of 2474.66 g/mol, XLogP of 15.61, 25 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thiolane 1,1-dioxide;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine;4-[6-(3H-isoindol-1-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 161011219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).