(4S)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2R,4S)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

C314H262F56N46O16 — CID 157142642

IUPAC(4S)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2R,4S)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESC=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC[C@H](O)C3)Cc2cc(F)cc(F)c2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H](C(C)C)n2ccc(C(F)(F)F)n2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C(C)C)n2ccc(C(F)(F)F)n2)ccc1F.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@H]2C[C@@H]32)Cc2cc(F)cc(F)c2)ccc1F.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC[C@@H](O)C3)Cc2cc(F)cc(F)c2)ccc1F.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)c2c1[C@@H]1C[C@@H]1CC2.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)c2c1[C@H]1C[C@H]1CC2.O=C(C[C@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)c2c1[C@@H]1C[C@@H]1CC2.O=C(C[C@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)c2c1[C@H]1C[C@H]1CC2
InChIInChI=1S/C32H24F8N4O.C32H28F6N4O2.4C32H27F4N5O.C31H22F8N4O2.C31H26F6N4O3.2C30H27F6N5O2/c1-15(41)23-11-17(4-5-26(23)35)22-3-2-6-42-28(22)18(7-16-8-19(33)12-20(34)9-16)10-21(45)14-44-30-27(29(43-44)32(38,39)40)24-13-25(24)31(30,36)37;1-17(39)26-13-19(4-6-28(26)35)25-3-2-8-40-30(25)20(9-18-10-21(33)14-22(34)11-18)12-24(44)16-42-29-7-5-23(43)15-27(29)31(41-42)32(36,37)38;4*33-22-7-17(8-23(34)12-22)6-20(29-27(14-37-16-39-29)21-9-19-2-1-3-28(19)38-13-21)10-24(42)15-41-31-25(30(40-41)32(35)36)5-4-18-11-26(18)31;32-17-7-14(8-18(33)11-17)6-16(26-20(2-1-5-41-26)15-3-4-24(34)22(10-15)29(40)45)9-19(44)13-43-28-25(27(42-43)31(37,38)39)21-12-23(21)30(28,35)36;32-19-9-16(10-20(33)13-19)8-18(28-23(2-1-7-39-28)17-3-5-26(34)24(12-17)30(38)44)11-22(43)15-41-27-6-4-21(42)14-25(27)29(40-41)31(35,36)37;2*1-16(2)27(41-10-8-25(40-41)30(34,35)36)29(43)39-24(13-17-11-19(31)15-20(32)12-17)26-21(5-4-9-38-26)18-6-7-23(33)22(14-18)28(42)37-3/h2-6,8-9,11-12,18,24-25H,1,7,10,13-14,41H2;2-4,6,8,10-11,13-14,20,23,43H,1,5,7,9,12,15-16,39H2;4*1-2,7-9,12-14,16,18,20,26,32H,3-6,10-11,15H2;1-5,7-8,10-11,16,21,23H,6,9,12-13H2,(H2,40,45);1-3,5,7,9-10,12-13,18,21,42H,4,6,8,11,14-15H2,(H2,38,44);2*4-12,14-16,24,27H,13H2,1-3H3,(H,37,42)(H,39,43)/t18-,24+,25-;20-,23+;2*18-,20+,26+;2*18-,20-,26+;16-,21-,23+;18-,21-;24-,27+;24-,27-/m1110101100/s1
InChIKeyAKJASFPOEIJCLU-FNJAJSJXSA-N
MW5999.74 g/mol
LogP63.94
Rot. Bonds90

About (4S)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2R,4S)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

(4S)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2R,4S)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (PubChem CID 157142642) has the molecular formula C314H262F56N46O16 and a molecular weight of 5999.74 g/mol. Its IUPAC name is (4S)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2R,4S)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name(4S)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2R,4S)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
PubChem CID157142642
Molecular FormulaC314H262F56N46O16
Molecular Weight5999.74 g/mol
Exact Mass5996.02
IUPAC Name(4S)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2R,4S)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESC=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC[C@H](O)C3)Cc2cc(F)cc(F)c2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H](C(C)C)n2ccc(C(F)(F)F)n2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C(C)C)n2ccc(C(F)(F)F)n2)ccc1F.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@H]2C[C@@H]32)Cc2cc(F)cc(F)c2)ccc1F.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC[C@@H](O)C3)Cc2cc(F)cc(F)c2)ccc1F.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)c2c1[C@@H]1C[C@@H]1CC2.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)c2c1[C@H]1C[C@H]1CC2.O=C(C[C@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)c2c1[C@@H]1C[C@@H]1CC2.O=C(C[C@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)c2c1[C@H]1C[C@H]1CC2
InChIInChI=1S/C32H24F8N4O.C32H28F6N4O2.4C32H27F4N5O.C31H22F8N4O2.C31H26F6N4O3.2C30H27F6N5O2/c1-15(41)23-11-17(4-5-26(23)35)22-3-2-6-42-28(22)18(7-16-8-19(33)12-20(34)9-16)10-21(45)14-44-30-27(29(43-44)32(38,39)40)24-13-25(24)31(30,36)37;1-17(39)26-13-19(4-6-28(26)35)25-3-2-8-40-30(25)20(9-18-10-21(33)14-22(34)11-18)12-24(44)16-42-29-7-5-23(43)15-27(29)31(41-42)32(36,37)38;4*33-22-7-17(8-23(34)12-22)6-20(29-27(14-37-16-39-29)21-9-19-2-1-3-28(19)38-13-21)10-24(42)15-41-31-25(30(40-41)32(35)36)5-4-18-11-26(18)31;32-17-7-14(8-18(33)11-17)6-16(26-20(2-1-5-41-26)15-3-4-24(34)22(10-15)29(40)45)9-19(44)13-43-28-25(27(42-43)31(37,38)39)21-12-23(21)30(28,35)36;32-19-9-16(10-20(33)13-19)8-18(28-23(2-1-7-39-28)17-3-5-26(34)24(12-17)30(38)44)11-22(43)15-41-27-6-4-21(42)14-25(27)29(40-41)31(35,36)37;2*1-16(2)27(41-10-8-25(40-41)30(34,35)36)29(43)39-24(13-17-11-19(31)15-20(32)12-17)26-21(5-4-9-38-26)18-6-7-23(33)22(14-18)28(42)37-3/h2-6,8-9,11-12,18,24-25H,1,7,10,13-14,41H2;2-4,6,8,10-11,13-14,20,23,43H,1,5,7,9,12,15-16,39H2;4*1-2,7-9,12-14,16,18,20,26,32H,3-6,10-11,15H2;1-5,7-8,10-11,16,21,23H,6,9,12-13H2,(H2,40,45);1-3,5,7,9-10,12-13,18,21,42H,4,6,8,11,14-15H2,(H2,38,44);2*4-12,14-16,24,27H,13H2,1-3H3,(H,37,42)(H,39,43)/t18-,24+,25-;20-,23+;2*18-,20+,26+;2*18-,20-,26+;16-,21-,23+;18-,21-;24-,27+;24-,27-/m1110101100/s1
InChIKeyAKJASFPOEIJCLU-FNJAJSJXSA-N
XLogP63.94
TPSA841.86 Ų
H-Bond Donors10
H-Bond Acceptors56
Rotatable Bonds90
Heavy Atoms432
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005999.74
LogP ≤ 563.94
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1056

Analyze (4S)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2R,4S)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2R,4S)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of (4S)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2R,4S)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (CID 157142642) is (4S)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2R,4S)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for (4S)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2R,4S)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for (4S)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2R,4S)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC[C@H](O)C3)Cc2cc(F)cc(F)c2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H](C(C)C)n2ccc(C(F)(F)F)n2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C(C)C)n2ccc(C(F)(F)F)n2)ccc1F.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@H]2C[C@@H]32)Cc2cc(F)cc(F)c2)ccc1F.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC[C@@H](O)C3)Cc2cc(F)cc(F)c2)ccc1F.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)c2c1[C@@H]1C[C@@H]1CC2.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)c2c1[C@H]1C[C@H]1CC2.O=C(C[C@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)c2c1[C@@H]1C[C@@H]1CC2.O=C(C[C@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)c2c1[C@H]1C[C@H]1CC2.
What is the InChIKey of (4S)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2R,4S)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The InChIKey is AKJASFPOEIJCLU-FNJAJSJXSA-N. The full InChI is InChI=1S/C32H24F8N4O.C32H28F6N4O2.4C32H27F4N5O.C31H22F8N4O2.C31H26F6N4O3.2C30H27F6N5O2/c1-15(41)23-11-17(4-5-26(23)35)22-3-2-6-42-28(22)18(7-16-8-19(33)12-20(34)9-16)10-21(45)14-44-30-27(29(43-44)32(38,39)40)24-13-25(24)31(30,36)37;1-17(39)26-13-19(4-6-28(26)35)25-3-2-8-40-30(25)20(9-18-10-21(33)14-22(34)11-18)12-24(44)16-42-29-7-5-23(43)15-27(29)31(41-42)32(36,37)38;4*33-22-7-17(8-23(34)12-22)6-20(29-27(14-37-16-39-29)21-9-19-2-1-3-28(19)38-13-21)10-24(42)15-41-31-25(30(40-41)32(35)36)5-4-18-11-26(18)31;32-17-7-14(8-18(33)11-17)6-16(26-20(2-1-5-41-26)15-3-4-24(34)22(10-15)29(40)45)9-19(44)13-43-28-25(27(42-43)31(37,38)39)21-12-23(21)30(28,35)36;32-19-9-16(10-20(33)13-19)8-18(28-23(2-1-7-39-28)17-3-5-26(34)24(12-17)30(38)44)11-22(43)15-41-27-6-4-21(42)14-25(27)29(40-41)31(35,36)37;2*1-16(2)27(41-10-8-25(40-41)30(34,35)36)29(43)39-24(13-17-11-19(31)15-20(32)12-17)26-21(5-4-9-38-26)18-6-7-23(33)22(14-18)28(42)37-3/h2-6,8-9,11-12,18,24-25H,1,7,10,13-14,41H2;2-4,6,8,10-11,13-14,20,23,43H,1,5,7,9,12,15-16,39H2;4*1-2,7-9,12-14,16,18,20,26,32H,3-6,10-11,15H2;1-5,7-8,10-11,16,21,23H,6,9,12-13H2,(H2,40,45);1-3,5,7,9-10,12-13,18,21,42H,4,6,8,11,14-15H2,(H2,38,44);2*4-12,14-16,24,27H,13H2,1-3H3,(H,37,42)(H,39,43)/t18-,24+,25-;20-,23+;2*18-,20+,26+;2*18-,20-,26+;16-,21-,23+;18-,21-;24-,27+;24-,27-/m1110101100/s1.
What are the key properties of (4S)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2R,4S)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
(4S)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2R,4S)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide has a molecular weight of 5999.74 g/mol, XLogP of 63.94, 90 rotatable bonds, 10 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aR,6aS)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[(5aS,6aR)-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2R,4S)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 157142642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).