3-[6-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;1-ethyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;6-fluoro-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;6-fluoro-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1,4-thiazine;1-propan-2-yl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one

C143H168F3N33O14S3 — CID 158515066

IUPAC3-[6-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;1-ethyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;6-fluoro-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;6-fluoro-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1,4-thiazine;1-propan-2-yl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one
SMILESCC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCN(C)CC2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCN(S(C)(=O)=O)CC2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCOCC2)ncn1.CC(C)Oc1ccc2c(c1)C(c1cc(N3C=CSCC3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCN(C(C)C)C(=O)C3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCN(S(=O)(=O)C4CC4)CC3)ncn1)=NC2.CCN1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ncn2)CC1=O
InChIInChI=1S/C22H27N5O3S.C22H27N5O2.C21H25N5O2.C20H24FN5O3S.C20H24FN5O.C19H21FN4O2.C19H20N4OS/c1-15(2)30-17-4-3-16-13-23-22(19(16)11-17)20-12-21(25-14-24-20)26-7-9-27(10-8-26)31(28,29)18-5-6-18;1-14(2)27-8-7-26(12-21(27)28)20-10-19(24-13-25-20)22-18-9-17(29-15(3)4)6-5-16(18)11-23-22;1-4-25-7-8-26(12-20(25)27)19-10-18(23-13-24-19)21-17-9-16(28-14(2)3)6-5-15(17)11-22-21;1-13(2)29-18-9-15-14(8-16(18)21)11-22-20(15)17-10-19(24-12-23-17)25-4-6-26(7-5-25)30(3,27)28;1-13(2)27-18-9-15-14(8-16(18)21)11-22-20(15)17-10-19(24-12-23-17)26-6-4-25(3)5-7-26;1-12(2)26-17-8-14-13(7-15(17)20)10-21-19(14)16-9-18(23-11-22-16)24-3-5-25-6-4-24;1-13(2)24-15-4-3-14-11-20-19(16(14)9-15)17-10-18(22-12-21-17)23-5-7-25-8-6-23/h3-4,11-12,14-15,18H,5-10,13H2,1-2H3;5-6,9-10,13-15H,7-8,11-12H2,1-4H3;5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3;8-10,12-13H,4-7,11H2,1-3H3;8-10,12-13H,4-7,11H2,1-3H3;7-9,11-12H,3-6,10H2,1-2H3;3-5,7,9-10,12-13H,6,8,11H2,1-2H3
InChIKeyHLNJPNDKUIYKQV-UHFFFAOYSA-N
MW2726.33 g/mol
LogP17.75
Rot. Bonds33

About 3-[6-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;1-ethyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;6-fluoro-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;6-fluoro-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1,4-thiazine;1-propan-2-yl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one

3-[6-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;1-ethyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;6-fluoro-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;6-fluoro-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1,4-thiazine;1-propan-2-yl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one (PubChem CID 158515066) has the molecular formula C143H168F3N33O14S3 and a molecular weight of 2726.33 g/mol. Its IUPAC name is 3-[6-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;1-ethyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;6-fluoro-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;6-fluoro-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1,4-thiazine;1-propan-2-yl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name3-[6-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;1-ethyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;6-fluoro-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;6-fluoro-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1,4-thiazine;1-propan-2-yl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one
PubChem CID158515066
Molecular FormulaC143H168F3N33O14S3
Molecular Weight2726.33 g/mol
Exact Mass2724.26
IUPAC Name3-[6-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;1-ethyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;6-fluoro-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;6-fluoro-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1,4-thiazine;1-propan-2-yl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one
SMILESCC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCN(C)CC2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCN(S(C)(=O)=O)CC2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCOCC2)ncn1.CC(C)Oc1ccc2c(c1)C(c1cc(N3C=CSCC3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCN(C(C)C)C(=O)C3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCN(S(=O)(=O)C4CC4)CC3)ncn1)=NC2.CCN1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ncn2)CC1=O
InChIInChI=1S/C22H27N5O3S.C22H27N5O2.C21H25N5O2.C20H24FN5O3S.C20H24FN5O.C19H21FN4O2.C19H20N4OS/c1-15(2)30-17-4-3-16-13-23-22(19(16)11-17)20-12-21(25-14-24-20)26-7-9-27(10-8-26)31(28,29)18-5-6-18;1-14(2)27-8-7-26(12-21(27)28)20-10-19(24-13-25-20)22-18-9-17(29-15(3)4)6-5-16(18)11-23-22;1-4-25-7-8-26(12-20(25)27)19-10-18(23-13-24-19)21-17-9-16(28-14(2)3)6-5-15(17)11-22-21;1-13(2)29-18-9-15-14(8-16(18)21)11-22-20(15)17-10-19(24-12-23-17)25-4-6-26(7-5-25)30(3,27)28;1-13(2)27-18-9-15-14(8-16(18)21)11-22-20(15)17-10-19(24-12-23-17)26-6-4-25(3)5-7-26;1-12(2)26-17-8-14-13(7-15(17)20)10-21-19(14)16-9-18(23-11-22-16)24-3-5-25-6-4-24;1-13(2)24-15-4-3-14-11-20-19(16(14)9-15)17-10-18(22-12-21-17)23-5-7-25-8-6-23/h3-4,11-12,14-15,18H,5-10,13H2,1-2H3;5-6,9-10,13-15H,7-8,11-12H2,1-4H3;5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3;8-10,12-13H,4-7,11H2,1-3H3;8-10,12-13H,4-7,11H2,1-3H3;7-9,11-12H,3-6,10H2,1-2H3;3-5,7,9-10,12-13H,6,8,11H2,1-2H3
InChIKeyHLNJPNDKUIYKQV-UHFFFAOYSA-N
XLogP17.75
TPSA482.12 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds33
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002726.33
LogP ≤ 517.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze 3-[6-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;1-ethyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;6-fluoro-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;6-fluoro-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1,4-thiazine;1-propan-2-yl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one 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
3-[6-[(3R)-4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[(3S)-3-methyl-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole;4-[[(2R)-2-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole
CID 157565666
3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;3-[6-(3-methoxyazetidin-1-yl)pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;[(3S)-1-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3R)-1-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine
CID 157764108
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
3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-6-fluoro-5-(1-methylcyclopropyl)oxy-1H-isoindole;4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(methoxymethyl)morpholine;5-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[(3R)-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]-1,4-thiazinane 1-oxide
CID 159793756
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
5,5-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
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
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-(2,4-dimethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;N-(2-methoxyethyl)-N-methyl-6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-amine;8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-propan-2-ylpiperazin-2-one;3-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 157098395
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

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;1-ethyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;6-fluoro-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;6-fluoro-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1,4-thiazine;1-propan-2-yl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 3-[6-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;1-ethyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;6-fluoro-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;6-fluoro-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1,4-thiazine;1-propan-2-yl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one (CID 158515066) is 3-[6-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;1-ethyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;6-fluoro-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;6-fluoro-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1,4-thiazine;1-propan-2-yl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 3-[6-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;1-ethyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;6-fluoro-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;6-fluoro-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1,4-thiazine;1-propan-2-yl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 3-[6-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;1-ethyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;6-fluoro-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;6-fluoro-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1,4-thiazine;1-propan-2-yl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one is CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCN(C)CC2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCN(S(C)(=O)=O)CC2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCOCC2)ncn1.CC(C)Oc1ccc2c(c1)C(c1cc(N3C=CSCC3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCN(C(C)C)C(=O)C3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCN(S(=O)(=O)C4CC4)CC3)ncn1)=NC2.CCN1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ncn2)CC1=O.
What is the InChIKey of 3-[6-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;1-ethyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;6-fluoro-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;6-fluoro-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1,4-thiazine;1-propan-2-yl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one?
The InChIKey is HLNJPNDKUIYKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S.C22H27N5O2.C21H25N5O2.C20H24FN5O3S.C20H24FN5O.C19H21FN4O2.C19H20N4OS/c1-15(2)30-17-4-3-16-13-23-22(19(16)11-17)20-12-21(25-14-24-20)26-7-9-27(10-8-26)31(28,29)18-5-6-18;1-14(2)27-8-7-26(12-21(27)28)20-10-19(24-13-25-20)22-18-9-17(29-15(3)4)6-5-16(18)11-23-22;1-4-25-7-8-26(12-20(25)27)19-10-18(23-13-24-19)21-17-9-16(28-14(2)3)6-5-15(17)11-22-21;1-13(2)29-18-9-15-14(8-16(18)21)11-22-20(15)17-10-19(24-12-23-17)25-4-6-26(7-5-25)30(3,27)28;1-13(2)27-18-9-15-14(8-16(18)21)11-22-20(15)17-10-19(24-12-23-17)26-6-4-25(3)5-7-26;1-12(2)26-17-8-14-13(7-15(17)20)10-21-19(14)16-9-18(23-11-22-16)24-3-5-25-6-4-24;1-13(2)24-15-4-3-14-11-20-19(16(14)9-15)17-10-18(22-12-21-17)23-5-7-25-8-6-23/h3-4,11-12,14-15,18H,5-10,13H2,1-2H3;5-6,9-10,13-15H,7-8,11-12H2,1-4H3;5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3;8-10,12-13H,4-7,11H2,1-3H3;8-10,12-13H,4-7,11H2,1-3H3;7-9,11-12H,3-6,10H2,1-2H3;3-5,7,9-10,12-13H,6,8,11H2,1-2H3.
What are the key properties of 3-[6-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;1-ethyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;6-fluoro-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;6-fluoro-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1,4-thiazine;1-propan-2-yl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one?
3-[6-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;1-ethyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;6-fluoro-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;6-fluoro-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1,4-thiazine;1-propan-2-yl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one has a molecular weight of 2726.33 g/mol, XLogP of 17.75, 33 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;1-ethyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;6-fluoro-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;6-fluoro-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1,4-thiazine;1-propan-2-yl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 158515066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).