6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-(trideuteriomethyl)indazol-3-one;6-[2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[(4-methyl-1-propylpyrrol-3-yl)methyl]indazol-3-one;(8aR)-7-[5-[1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-(trideuteriomethyl)indazol-3-one

C141H158F6N32O17 — CID 158455283

IUPAC6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-(trideuteriomethyl)indazol-3-one;6-[2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[(4-methyl-1-propylpyrrol-3-yl)methyl]indazol-3-one;(8aR)-7-[5-[1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-(trideuteriomethyl)indazol-3-one
SMILESCC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5c(CO)cccc5OC(C)F)c4c3)cn2)[C@H](C)C1.CC(F)Oc1cccc(CO)c1Cn1c2cc(-c3cnc(N4CCN5C(=O)NC[C@@H]5C4)nc3)ccc2c(=O)n1C.CCCn1cc(C)c(Cn2c3cc(-c4cnc(N5CCN(C(C)=O)[C@H](C)C5)nc4)ccc3c(=O)n2C)c1.[2H]C([2H])([2H])n1c(=O)c2ccc(-c3cnc(N4CCN(C(=O)CO)[C@H](C)C4)nc3)cc2n1Cc1cc(C)ccc1OC(F)F.[2H]C([2H])([2H])n1c(=O)c2ccc(-c3cnc(N4CCN(C(C)=O)[C@H](C)C4)nc3)cc2n1Cc1cc(C)ccc1OC(F)F
InChIInChI=1S/C29H33FN6O4.C28H30F2N6O4.C28H30F2N6O3.C28H30FN7O4.C28H35N7O2/c1-18-15-34(20(3)38)10-11-35(18)29-31-13-23(14-32-29)21-8-9-24-26(12-21)36(33(4)28(24)39)16-25-22(17-37)6-5-7-27(25)40-19(2)30;1-17-4-7-24(40-27(29)30)20(10-17)15-36-23-11-19(5-6-22(23)26(39)33(36)3)21-12-31-28(32-13-21)34-8-9-35(18(2)14-34)25(38)16-37;1-17-5-8-25(39-27(29)30)21(11-17)16-36-24-12-20(6-7-23(24)26(38)33(36)4)22-13-31-28(32-14-22)34-9-10-35(19(3)37)18(2)15-34;1-17(29)40-25-5-3-4-19(16-37)23(25)15-36-24-10-18(6-7-22(24)26(38)33(36)2)20-11-30-27(31-12-20)34-8-9-35-21(14-34)13-32-28(35)39;1-6-9-32-15-19(2)24(17-32)18-35-26-12-22(7-8-25(26)27(37)31(35)5)23-13-29-28(30-14-23)33-10-11-34(21(4)36)20(3)16-33/h5-9,12-14,18-19,37H,10-11,15-17H2,1-4H3;4-7,10-13,18,27,37H,8-9,14-16H2,1-3H3;5-8,11-14,18,27H,9-10,15-16H2,1-4H3;3-7,10-12,17,21,37H,8-9,13-16H2,1-2H3,(H,32,39);7-8,12-15,17,20H,6,9-11,16,18H2,1-5H3/t18-,19?;2*18-;17?,21-;20-/m11111/s1/i;3D3;4D3;;
InChIKeyHEMLHMQVICZKFG-XEVURXKPSA-N
MW2693.05 g/mol
LogP15.35
Rot. Bonds35

About 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-(trideuteriomethyl)indazol-3-one;6-[2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[(4-methyl-1-propylpyrrol-3-yl)methyl]indazol-3-one;(8aR)-7-[5-[1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-(trideuteriomethyl)indazol-3-one

6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-(trideuteriomethyl)indazol-3-one;6-[2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[(4-methyl-1-propylpyrrol-3-yl)methyl]indazol-3-one;(8aR)-7-[5-[1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-(trideuteriomethyl)indazol-3-one (PubChem CID 158455283) has the molecular formula C141H158F6N32O17 and a molecular weight of 2693.05 g/mol. Its IUPAC name is 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-(trideuteriomethyl)indazol-3-one;6-[2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[(4-methyl-1-propylpyrrol-3-yl)methyl]indazol-3-one;(8aR)-7-[5-[1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-(trideuteriomethyl)indazol-3-one.

Molecular Properties

Compound Name6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-(trideuteriomethyl)indazol-3-one;6-[2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[(4-methyl-1-propylpyrrol-3-yl)methyl]indazol-3-one;(8aR)-7-[5-[1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-(trideuteriomethyl)indazol-3-one
PubChem CID158455283
Molecular FormulaC141H158F6N32O17
Molecular Weight2693.05 g/mol
Exact Mass2691.28
IUPAC Name6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-(trideuteriomethyl)indazol-3-one;6-[2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[(4-methyl-1-propylpyrrol-3-yl)methyl]indazol-3-one;(8aR)-7-[5-[1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-(trideuteriomethyl)indazol-3-one
SMILESCC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5c(CO)cccc5OC(C)F)c4c3)cn2)[C@H](C)C1.CC(F)Oc1cccc(CO)c1Cn1c2cc(-c3cnc(N4CCN5C(=O)NC[C@@H]5C4)nc3)ccc2c(=O)n1C.CCCn1cc(C)c(Cn2c3cc(-c4cnc(N5CCN(C(C)=O)[C@H](C)C5)nc4)ccc3c(=O)n2C)c1.[2H]C([2H])([2H])n1c(=O)c2ccc(-c3cnc(N4CCN(C(=O)CO)[C@H](C)C4)nc3)cc2n1Cc1cc(C)ccc1OC(F)F.[2H]C([2H])([2H])n1c(=O)c2ccc(-c3cnc(N4CCN(C(C)=O)[C@H](C)C4)nc3)cc2n1Cc1cc(C)ccc1OC(F)F
InChIInChI=1S/C29H33FN6O4.C28H30F2N6O4.C28H30F2N6O3.C28H30FN7O4.C28H35N7O2/c1-18-15-34(20(3)38)10-11-35(18)29-31-13-23(14-32-29)21-8-9-24-26(12-21)36(33(4)28(24)39)16-25-22(17-37)6-5-7-27(25)40-19(2)30;1-17-4-7-24(40-27(29)30)20(10-17)15-36-23-11-19(5-6-22(23)26(39)33(36)3)21-12-31-28(32-13-21)34-8-9-35(18(2)14-34)25(38)16-37;1-17-5-8-25(39-27(29)30)21(11-17)16-36-24-12-20(6-7-23(24)26(38)33(36)4)22-13-31-28(32-14-22)34-9-10-35(19(3)37)18(2)15-34;1-17(29)40-25-5-3-4-19(16-37)23(25)15-36-24-10-18(6-7-22(24)26(38)33(36)2)20-11-30-27(31-12-20)34-8-9-35-21(14-34)13-32-28(35)39;1-6-9-32-15-19(2)24(17-32)18-35-26-12-22(7-8-25(26)27(37)31(35)5)23-13-29-28(30-14-23)33-10-11-34(21(4)36)20(3)16-33/h5-9,12-14,18-19,37H,10-11,15-17H2,1-4H3;4-7,10-13,18,27,37H,8-9,14-16H2,1-3H3;5-8,11-14,18,27H,9-10,15-16H2,1-4H3;3-7,10-12,17,21,37H,8-9,13-16H2,1-2H3,(H,32,39);7-8,12-15,17,20H,6,9-11,16,18H2,1-5H3/t18-,19?;2*18-;17?,21-;20-/m11111/s1/i;3D3;4D3;;
InChIKeyHEMLHMQVICZKFG-XEVURXKPSA-N
XLogP15.35
TPSA495.87 Ų
H-Bond Donors4
H-Bond Acceptors43
Rotatable Bonds35
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002693.05
LogP ≤ 515.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1043

Analyze 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-(trideuteriomethyl)indazol-3-one;6-[2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[(4-methyl-1-propylpyrrol-3-yl)methyl]indazol-3-one;(8aR)-7-[5-[1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-(trideuteriomethyl)indazol-3-one with MolForge

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Related Compounds

Tris[2-[4-[5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-2-methylpiperazin-1-yl]-2-oxoethyl] phosphate
CID 122621106
(8aR)-7-[5-[1-[[2-(difluoromethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 122621179
7-[5-[1-[[2-(Difluoromethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 122621180
tris[2-[(2R)-4-[5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-2-methylpiperazin-1-yl]-2-oxoethyl] phosphate
CID 122621501
1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-6-(2-propan-2-ylpyrimidin-5-yl)indazol-3-one;1-[[2-(difluoromethoxy)-5-morpholin-4-ylphenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one;1-[[1-[(4-ethyl-3-pyridinyl)methyl]-4-(trifluoromethyl)pyrrol-3-yl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methyl-1-[[1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyrrol-3-yl]methyl]indazol-3-one
CID 157304080
6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]phenyl]methyl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-6-[2-(1-hydroxyethyl)-3,6-dihydro-2H-pyran-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-6-[2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-pyran-5-yl]-2-methylindazol-3-one;6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1-[[1-[(4-methoxy-2H-pyrrol-5-yl)methyl]-4-(trifluoromethyl)pyrrol-3-yl]methyl]-2-methylindazol-3-one;6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methyl-1-[[1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyrrol-3-yl]methyl]indazol-3-one
CID 157366380
2-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[2-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 157572711
6-[2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[(3,6-dimethyl-2-pyridinyl)methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[(3,6-dimethyl-2-pyridinyl)methyl]-2-methylpyrazolo[3,4-b]pyridin-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[3-(1-fluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylindazol-3-one;(8aS)-7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[(2-hydroxyphenyl)methyl]-2-methyl-3-oxoindazole-7-carbonitrile
CID 157862665
N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-phenyl-3-pyridinyl]formamide;3-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;3-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide
CID 158246335
4-[[4-[[4-(3,5-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(3-oxo-4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]-3H-isoindol-1-one;hydrochloride
CID 158249133
N-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylbenzamide;4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[2-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-pyridinyl]-3-(trifluoromethyl)benzamide;3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)-3-(trifluoromethyl)phenyl]benzamide;3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 158292908
(8aR)-7-[5-[2-methyl-1-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;1-[5-[1-[[2-(1-fluoroethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]pyrrolidine-3-carboxamide;4-[5-[1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-4-hydroxypiperidine-1-carbaldehyde;6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]methyl]indazol-3-one;6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]methyl]indazol-3-one
CID 159184212

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-(trideuteriomethyl)indazol-3-one;6-[2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[(4-methyl-1-propylpyrrol-3-yl)methyl]indazol-3-one;(8aR)-7-[5-[1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-(trideuteriomethyl)indazol-3-one?
The IUPAC name of 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-(trideuteriomethyl)indazol-3-one;6-[2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[(4-methyl-1-propylpyrrol-3-yl)methyl]indazol-3-one;(8aR)-7-[5-[1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-(trideuteriomethyl)indazol-3-one (CID 158455283) is 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-(trideuteriomethyl)indazol-3-one;6-[2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[(4-methyl-1-propylpyrrol-3-yl)methyl]indazol-3-one;(8aR)-7-[5-[1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-(trideuteriomethyl)indazol-3-one.
What is the SMILES notation for 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-(trideuteriomethyl)indazol-3-one;6-[2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[(4-methyl-1-propylpyrrol-3-yl)methyl]indazol-3-one;(8aR)-7-[5-[1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-(trideuteriomethyl)indazol-3-one?
The canonical SMILES for 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-(trideuteriomethyl)indazol-3-one;6-[2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[(4-methyl-1-propylpyrrol-3-yl)methyl]indazol-3-one;(8aR)-7-[5-[1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-(trideuteriomethyl)indazol-3-one is CC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5c(CO)cccc5OC(C)F)c4c3)cn2)[C@H](C)C1.CC(F)Oc1cccc(CO)c1Cn1c2cc(-c3cnc(N4CCN5C(=O)NC[C@@H]5C4)nc3)ccc2c(=O)n1C.CCCn1cc(C)c(Cn2c3cc(-c4cnc(N5CCN(C(C)=O)[C@H](C)C5)nc4)ccc3c(=O)n2C)c1.[2H]C([2H])([2H])n1c(=O)c2ccc(-c3cnc(N4CCN(C(=O)CO)[C@H](C)C4)nc3)cc2n1Cc1cc(C)ccc1OC(F)F.[2H]C([2H])([2H])n1c(=O)c2ccc(-c3cnc(N4CCN(C(C)=O)[C@H](C)C4)nc3)cc2n1Cc1cc(C)ccc1OC(F)F.
What is the InChIKey of 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-(trideuteriomethyl)indazol-3-one;6-[2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[(4-methyl-1-propylpyrrol-3-yl)methyl]indazol-3-one;(8aR)-7-[5-[1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-(trideuteriomethyl)indazol-3-one?
The InChIKey is HEMLHMQVICZKFG-XEVURXKPSA-N. The full InChI is InChI=1S/C29H33FN6O4.C28H30F2N6O4.C28H30F2N6O3.C28H30FN7O4.C28H35N7O2/c1-18-15-34(20(3)38)10-11-35(18)29-31-13-23(14-32-29)21-8-9-24-26(12-21)36(33(4)28(24)39)16-25-22(17-37)6-5-7-27(25)40-19(2)30;1-17-4-7-24(40-27(29)30)20(10-17)15-36-23-11-19(5-6-22(23)26(39)33(36)3)21-12-31-28(32-13-21)34-8-9-35(18(2)14-34)25(38)16-37;1-17-5-8-25(39-27(29)30)21(11-17)16-36-24-12-20(6-7-23(24)26(38)33(36)4)22-13-31-28(32-14-22)34-9-10-35(19(3)37)18(2)15-34;1-17(29)40-25-5-3-4-19(16-37)23(25)15-36-24-10-18(6-7-22(24)26(38)33(36)2)20-11-30-27(31-12-20)34-8-9-35-21(14-34)13-32-28(35)39;1-6-9-32-15-19(2)24(17-32)18-35-26-12-22(7-8-25(26)27(37)31(35)5)23-13-29-28(30-14-23)33-10-11-34(21(4)36)20(3)16-33/h5-9,12-14,18-19,37H,10-11,15-17H2,1-4H3;4-7,10-13,18,27,37H,8-9,14-16H2,1-3H3;5-8,11-14,18,27H,9-10,15-16H2,1-4H3;3-7,10-12,17,21,37H,8-9,13-16H2,1-2H3,(H,32,39);7-8,12-15,17,20H,6,9-11,16,18H2,1-5H3/t18-,19?;2*18-;17?,21-;20-/m11111/s1/i;3D3;4D3;;.
What are the key properties of 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-(trideuteriomethyl)indazol-3-one;6-[2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[(4-methyl-1-propylpyrrol-3-yl)methyl]indazol-3-one;(8aR)-7-[5-[1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-(trideuteriomethyl)indazol-3-one?
6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-(trideuteriomethyl)indazol-3-one;6-[2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[(4-methyl-1-propylpyrrol-3-yl)methyl]indazol-3-one;(8aR)-7-[5-[1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-(trideuteriomethyl)indazol-3-one has a molecular weight of 2693.05 g/mol, XLogP of 15.35, 35 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-(trideuteriomethyl)indazol-3-one;6-[2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[(4-methyl-1-propylpyrrol-3-yl)methyl]indazol-3-one;(8aR)-7-[5-[1-[[2-(1-fluoroethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-(trideuteriomethyl)indazol-3-one is sourced from PubChem (CID 158455283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).