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

C135H140F14N24O17 — CID 157366380

IUPAC6-[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
SMILESCC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5cc(CN6CCN(C)C6=O)ccc5OC(F)F)c4c3)cn2)C[C@H]1C.COC1=CCN=C1Cn1cc(Cn2c3cc(-c4cnc(C(C)(C)O)nc4)ccc3c(=O)n2C)c(C(F)(F)F)c1.Cc1ccc(OC(F)F)c(Cn2c3cc(C4=CCC(C(C)(C)O)OC4)c(F)cc3c(=O)n2C)c1.Cc1ccc(OC(F)F)c(Cn2c3cc(C4=CCC(C(C)O)OC4)c(F)cc3c(=O)n2C)c1.Cn1c(=O)c2ccc(-c3cnc(C(C)(C)O)nc3)cc2n1Cc1cn(Cc2cccnc2)cc1C(F)(F)F
InChIInChI=1S/C32H36F2N8O4.C27H27F3N6O3.C27H25F3N6O2.C25H27F3N2O4.C24H25F3N2O4/c1-20-17-39(11-12-41(20)21(2)43)31-35-15-25(16-36-31)23-6-7-26-27(14-23)42(38(4)29(26)44)19-24-13-22(5-8-28(24)46-30(33)34)18-40-10-9-37(3)32(40)45;1-26(2,38)25-32-10-17(11-33-25)16-5-6-19-22(9-16)36(34(3)24(19)37)13-18-12-35(14-20(18)27(28,29)30)15-21-23(39-4)7-8-31-21;1-26(2,38)25-32-11-19(12-33-25)18-6-7-21-23(9-18)36(34(3)24(21)37)15-20-14-35(16-22(20)27(28,29)30)13-17-5-4-8-31-10-17;1-14-5-7-21(34-24(27)28)16(9-14)12-30-20-11-17(19(26)10-18(20)23(31)29(30)4)15-6-8-22(33-13-15)25(2,3)32;1-13-4-6-22(33-24(26)27)16(8-13)11-29-20-10-17(15-5-7-21(14(2)30)32-12-15)19(25)9-18(20)23(31)28(29)3/h5-8,13-16,20,30H,9-12,17-19H2,1-4H3;5-7,9-12,14,38H,8,13,15H2,1-4H3;4-12,14,16,38H,13,15H2,1-3H3;5-7,9-11,22,24,32H,8,12-13H2,1-4H3;4-6,8-10,14,21,24,30H,7,11-12H2,1-3H3/t20-;;;;/m1..../s1
InChIKeyBJFPJAXOKQPVIM-YFDXKITBSA-N
MW2636.73 g/mol
LogP19.96
Rot. Bonds33

About 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

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 (PubChem CID 157366380) has the molecular formula C135H140F14N24O17 and a molecular weight of 2636.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID157366380
Molecular FormulaC135H140F14N24O17
Molecular Weight2636.73 g/mol
Exact Mass2635.06
IUPAC Name6-[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
SMILESCC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5cc(CN6CCN(C)C6=O)ccc5OC(F)F)c4c3)cn2)C[C@H]1C.COC1=CCN=C1Cn1cc(Cn2c3cc(-c4cnc(C(C)(C)O)nc4)ccc3c(=O)n2C)c(C(F)(F)F)c1.Cc1ccc(OC(F)F)c(Cn2c3cc(C4=CCC(C(C)(C)O)OC4)c(F)cc3c(=O)n2C)c1.Cc1ccc(OC(F)F)c(Cn2c3cc(C4=CCC(C(C)O)OC4)c(F)cc3c(=O)n2C)c1.Cn1c(=O)c2ccc(-c3cnc(C(C)(C)O)nc3)cc2n1Cc1cn(Cc2cccnc2)cc1C(F)(F)F
InChIInChI=1S/C32H36F2N8O4.C27H27F3N6O3.C27H25F3N6O2.C25H27F3N2O4.C24H25F3N2O4/c1-20-17-39(11-12-41(20)21(2)43)31-35-15-25(16-36-31)23-6-7-26-27(14-23)42(38(4)29(26)44)19-24-13-22(5-8-28(24)46-30(33)34)18-40-10-9-37(3)32(40)45;1-26(2,38)25-32-10-17(11-33-25)16-5-6-19-22(9-16)36(34(3)24(19)37)13-18-12-35(14-20(18)27(28,29)30)15-21-23(39-4)7-8-31-21;1-26(2,38)25-32-11-19(12-33-25)18-6-7-21-23(9-18)36(34(3)24(21)37)15-20-14-35(16-22(20)27(28,29)30)13-17-5-4-8-31-10-17;1-14-5-7-21(34-24(27)28)16(9-14)12-30-20-11-17(19(26)10-18(20)23(31)29(30)4)15-6-8-22(33-13-15)25(2,3)32;1-13-4-6-22(33-24(26)27)16(8-13)11-29-20-10-17(15-5-7-21(14(2)30)32-12-15)19(25)9-18(20)23(31)28(29)3/h5-8,13-16,20,30H,9-12,17-19H2,1-4H3;5-7,9-12,14,38H,8,13,15H2,1-4H3;4-12,14,16,38H,13,15H2,1-3H3;5-7,9-11,22,24,32H,8,12-13H2,1-4H3;4-6,8-10,14,21,24,30H,7,11-12H2,1-3H3/t20-;;;;/m1..../s1
InChIKeyBJFPJAXOKQPVIM-YFDXKITBSA-N
XLogP19.96
TPSA430.50 Ų
H-Bond Donors4
H-Bond Acceptors38
Rotatable Bonds33
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002636.73
LogP ≤ 519.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1038

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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-[(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
(2-Fluoro-6-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158546925
(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
[2-(5-Fluoropyrimidin-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-fluoro-6-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 159639644
6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[(1-acetyl-4-methylpyrrol-3-yl)methyl]-2-methylindazol-3-one;(8aS)-7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrrol-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-(2-aminopropan-2-yl)pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;1-[[2-chloro-5-(3,3-dimethylbutyl)phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one
CID 159999923
6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[(2-chloro-5-methylphenyl)methyl]-2-methylpyrazolo[3,4-b]pyridin-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylpyrazolo[3,4-b]pyridin-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]methyl]indazol-3-one;(8aS)-7-[5-[2-methyl-1-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)phenyl]methyl]-6-[2-[(2R,4S)-4-hydroxy-2-methylpiperidin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one
CID 161379446
(1R,5S,7aS)-1-[3,5-bis(trifluoromethyl)phenyl]-5-[2-(dimethylamino)-5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)pyrimidin-4-yl]-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one;(1R,5S,7aS)-1-[3,5-bis(trifluoromethyl)phenyl]-5-[2-(2-methoxy-5-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one;4-[3-[2-[(1R,5S,7aS)-1-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-6-(dimethylamino)-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoic acid;3-[5-[2-[(1R,5S,8aS)-1-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-5-yl]-4-(trifluoromethyl)phenyl]-2-fluoro-4-methoxyphenyl]propanoic acid
CID 161583151
CID 161625949
CID 161625949
[4-(1,1-Difluoroethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-phenylpiperidin-1-yl)methanone
CID 164971090

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-[(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5cc(CN6CCN(C)C6=O)ccc5OC(F)F)c4c3)cn2)C[C@H]1C.COC1=CCN=C1Cn1cc(Cn2c3cc(-c4cnc(C(C)(C)O)nc4)ccc3c(=O)n2C)c(C(F)(F)F)c1.Cc1ccc(OC(F)F)c(Cn2c3cc(C4=CCC(C(C)(C)O)OC4)c(F)cc3c(=O)n2C)c1.Cc1ccc(OC(F)F)c(Cn2c3cc(C4=CCC(C(C)O)OC4)c(F)cc3c(=O)n2C)c1.Cn1c(=O)c2ccc(-c3cnc(C(C)(C)O)nc3)cc2n1Cc1cn(Cc2cccnc2)cc1C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is BJFPJAXOKQPVIM-YFDXKITBSA-N. The full InChI is InChI=1S/C32H36F2N8O4.C27H27F3N6O3.C27H25F3N6O2.C25H27F3N2O4.C24H25F3N2O4/c1-20-17-39(11-12-41(20)21(2)43)31-35-15-25(16-36-31)23-6-7-26-27(14-23)42(38(4)29(26)44)19-24-13-22(5-8-28(24)46-30(33)34)18-40-10-9-37(3)32(40)45;1-26(2,38)25-32-10-17(11-33-25)16-5-6-19-22(9-16)36(34(3)24(19)37)13-18-12-35(14-20(18)27(28,29)30)15-21-23(39-4)7-8-31-21;1-26(2,38)25-32-11-19(12-33-25)18-6-7-21-23(9-18)36(34(3)24(21)37)15-20-14-35(16-22(20)27(28,29)30)13-17-5-4-8-31-10-17;1-14-5-7-21(34-24(27)28)16(9-14)12-30-20-11-17(19(26)10-18(20)23(31)29(30)4)15-6-8-22(33-13-15)25(2,3)32;1-13-4-6-22(33-24(26)27)16(8-13)11-29-20-10-17(15-5-7-21(14(2)30)32-12-15)19(25)9-18(20)23(31)28(29)3/h5-8,13-16,20,30H,9-12,17-19H2,1-4H3;5-7,9-12,14,38H,8,13,15H2,1-4H3;4-12,14,16,38H,13,15H2,1-3H3;5-7,9-11,22,24,32H,8,12-13H2,1-4H3;4-6,8-10,14,21,24,30H,7,11-12H2,1-3H3/t20-;;;;/m1..../s1.
What are the key properties of 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?
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 has a molecular weight of 2636.73 g/mol, XLogP of 19.96, 33 rotatable bonds, 4 hydrogen bond donors, and 38 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-[(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 is sourced from PubChem (CID 157366380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).