3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;1-(2-fluoroethyl)-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;3-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-propylpiperazin-2-one

C125H145F4N27O11 — CID 158219558

IUPAC3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;1-(2-fluoroethyl)-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;3-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-propylpiperazin-2-one
SMILESCC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2C[C@H](F)[C@@H](F)C2)ncn1.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCC4(CCNC4=O)CC3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCN(CCF)C(=O)C3)ncn1)=NC2.CCCN1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ncn2)CC1=O.CO[C@@H]1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ncn2)C1.CO[C@H]1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ncn2)C1
InChIInChI=1S/C23H27N5O2.C22H27N5O2.C21H24FN5O2.2C20H24N4O2.C19H19F3N4O/c1-15(2)30-17-4-3-16-13-25-21(18(16)11-17)19-12-20(27-14-26-19)28-9-6-23(7-10-28)5-8-24-22(23)29;1-4-7-26-8-9-27(13-21(26)28)20-11-19(24-14-25-20)22-18-10-17(29-15(2)3)6-5-16(18)12-23-22;1-14(2)29-16-4-3-15-11-23-21(17(15)9-16)18-10-19(25-13-24-18)27-8-7-26(6-5-22)20(28)12-27;2*1-13(2)26-15-5-4-14-10-21-20(17(14)8-15)18-9-19(23-12-22-18)24-7-6-16(11-24)25-3;1-10(2)27-17-4-12-11(3-13(17)20)6-23-19(12)16-5-18(25-9-24-16)26-7-14(21)15(22)8-26/h3-4,11-12,14-15H,5-10,13H2,1-2H3,(H,24,29);5-6,10-11,14-15H,4,7-9,12-13H2,1-3H3;3-4,9-10,13-14H,5-8,11-12H2,1-2H3;2*4-5,8-9,12-13,16H,6-7,10-11H2,1-3H3;3-5,9-10,14-15H,6-8H2,1-2H3/t;;;2*16-;14-,15-/m...100/s1
InChIKeyGDBRGIMDQJOIDX-LCDHMMTJSA-N
MW2277.70 g/mol
LogP16.56
Rot. Bonds30

About 3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;1-(2-fluoroethyl)-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;3-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-propylpiperazin-2-one

3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;1-(2-fluoroethyl)-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;3-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-propylpiperazin-2-one (PubChem CID 158219558) has the molecular formula C125H145F4N27O11 and a molecular weight of 2277.70 g/mol. Its IUPAC name is 3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;1-(2-fluoroethyl)-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;3-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-propylpiperazin-2-one.

Molecular Properties

Compound Name3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;1-(2-fluoroethyl)-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;3-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-propylpiperazin-2-one
PubChem CID158219558
Molecular FormulaC125H145F4N27O11
Molecular Weight2277.70 g/mol
Exact Mass2276.16
IUPAC Name3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;1-(2-fluoroethyl)-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;3-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-propylpiperazin-2-one
SMILESCC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2C[C@H](F)[C@@H](F)C2)ncn1.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCC4(CCNC4=O)CC3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCN(CCF)C(=O)C3)ncn1)=NC2.CCCN1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ncn2)CC1=O.CO[C@@H]1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ncn2)C1.CO[C@H]1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ncn2)C1
InChIInChI=1S/C23H27N5O2.C22H27N5O2.C21H24FN5O2.2C20H24N4O2.C19H19F3N4O/c1-15(2)30-17-4-3-16-13-25-21(18(16)11-17)19-12-20(27-14-26-19)28-9-6-23(7-10-28)5-8-24-22(23)29;1-4-7-26-8-9-27(13-21(26)28)20-11-19(24-14-25-20)22-18-10-17(29-15(2)3)6-5-16(18)12-23-22;1-14(2)29-16-4-3-15-11-23-21(17(15)9-16)18-10-19(25-13-24-18)27-8-7-26(6-5-22)20(28)12-27;2*1-13(2)26-15-5-4-14-10-21-20(17(14)8-15)18-9-19(23-12-22-18)24-7-6-16(11-24)25-3;1-10(2)27-17-4-12-11(3-13(17)20)6-23-19(12)16-5-18(25-9-24-16)26-7-14(21)15(22)8-26/h3-4,11-12,14-15H,5-10,13H2,1-2H3,(H,24,29);5-6,10-11,14-15H,4,7-9,12-13H2,1-3H3;3-4,9-10,13-14H,5-8,11-12H2,1-2H3;2*4-5,8-9,12-13,16H,6-7,10-11H2,1-3H3;3-5,9-10,14-15H,6-8H2,1-2H3/t;;;2*16-;14-,15-/m...100/s1
InChIKeyGDBRGIMDQJOIDX-LCDHMMTJSA-N
XLogP16.56
TPSA391.84 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds30
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002277.70
LogP ≤ 516.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Analyze 3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;1-(2-fluoroethyl)-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;3-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-propylpiperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-tert-butyl-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 157428196
2-[[6-[3-[4-(1,1-Difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;1-[(3,4-dimethoxyphenyl)methyl]-4-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrrolo[2,3-b]pyridine;7-[(3,4-dimethoxyphenyl)methyl]-4-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine;methyl 2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetate
CID 157507223
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
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157658480
3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;(3S,4S)-4-(dimethylamino)-1-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S,4S)-4-methoxy-1-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;7-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,2-dimethylmorpholine;5-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 157675197
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-[[6-[2-[4-(1,1-Difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol;2-[[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-3-(4-methoxyphenyl)propan-1-ol;3-[[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]-methylamino]-1,5,5-trimethylpyrrolidin-2-one;3-[[5-fluoro-6-[3-(5-methyl-2-propan-2-ylphenoxy)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-5,5-dimethylhexan-2-one
CID 157768232
4-tert-butyl-2-(2-cyclohexylethyl)pyridine;6-tert-butyl-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;6-(3-tert-butylphenoxy)hexan-2-one;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;4-tert-butyl-2-piperidin-4-yloxypyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;2-[(4-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylethanamine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 158344466
2-[[6-[2-[4-(1,1-Difluoroethyl)-3-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;5-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-6-[(6-methyl-3-pyridinyl)methoxy]pyrimidine;5-fluoro-4-[(6-methyl-3-pyridinyl)methoxy]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine;1-[2-[1-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3,3-dimethylbutyl]morpholin-4-yl]ethanone
CID 158373840
5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-pyrimidin-2-ylethyl)-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyridin-3-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 158411468
6-tert-butyl-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;4-tert-butyl-2-piperidin-4-yloxypyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;2-[(4-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylethanamine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 158435120

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;1-(2-fluoroethyl)-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;3-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-propylpiperazin-2-one?
The IUPAC name of 3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;1-(2-fluoroethyl)-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;3-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-propylpiperazin-2-one (CID 158219558) is 3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;1-(2-fluoroethyl)-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;3-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-propylpiperazin-2-one.
What is the SMILES notation for 3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;1-(2-fluoroethyl)-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;3-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-propylpiperazin-2-one?
The canonical SMILES for 3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;1-(2-fluoroethyl)-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;3-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-propylpiperazin-2-one is CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2C[C@H](F)[C@@H](F)C2)ncn1.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCC4(CCNC4=O)CC3)ncn1)=NC2.CC(C)Oc1ccc2c(c1)C(c1cc(N3CCN(CCF)C(=O)C3)ncn1)=NC2.CCCN1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ncn2)CC1=O.CO[C@@H]1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ncn2)C1.CO[C@H]1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ncn2)C1.
What is the InChIKey of 3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;1-(2-fluoroethyl)-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;3-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-propylpiperazin-2-one?
The InChIKey is GDBRGIMDQJOIDX-LCDHMMTJSA-N. The full InChI is InChI=1S/C23H27N5O2.C22H27N5O2.C21H24FN5O2.2C20H24N4O2.C19H19F3N4O/c1-15(2)30-17-4-3-16-13-25-21(18(16)11-17)19-12-20(27-14-26-19)28-9-6-23(7-10-28)5-8-24-22(23)29;1-4-7-26-8-9-27(13-21(26)28)20-11-19(24-14-25-20)22-18-10-17(29-15(2)3)6-5-16(18)12-23-22;1-14(2)29-16-4-3-15-11-23-21(17(15)9-16)18-10-19(25-13-24-18)27-8-7-26(6-5-22)20(28)12-27;2*1-13(2)26-15-5-4-14-10-21-20(17(14)8-15)18-9-19(23-12-22-18)24-7-6-16(11-24)25-3;1-10(2)27-17-4-12-11(3-13(17)20)6-23-19(12)16-5-18(25-9-24-16)26-7-14(21)15(22)8-26/h3-4,11-12,14-15H,5-10,13H2,1-2H3,(H,24,29);5-6,10-11,14-15H,4,7-9,12-13H2,1-3H3;3-4,9-10,13-14H,5-8,11-12H2,1-2H3;2*4-5,8-9,12-13,16H,6-7,10-11H2,1-3H3;3-5,9-10,14-15H,6-8H2,1-2H3/t;;;2*16-;14-,15-/m...100/s1.
What are the key properties of 3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;1-(2-fluoroethyl)-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;3-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-propylpiperazin-2-one?
3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;1-(2-fluoroethyl)-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;3-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-propylpiperazin-2-one has a molecular weight of 2277.70 g/mol, XLogP of 16.56, 30 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;1-(2-fluoroethyl)-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;3-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-propylpiperazin-2-one is sourced from PubChem (CID 158219558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).