(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene-5-carbonitrile;(1S)-19,21-difluoro-12,12-dimethyl-5-(trifluoromethyl)-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;(1S)-19,21-difluoro-5,12,12-trimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(6-fluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;6-(6-fluoro-4H-pyridin-4-id-3-yl)-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;tris(platinum(2+));(1S)-5,19,21-trifluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene

C190H119F27N44Pt3+10 — CID 158150792

IUPAC(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene-5-carbonitrile;(1S)-19,21-difluoro-12,12-dimethyl-5-(trifluoromethyl)-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;(1S)-19,21-difluoro-5,12,12-trimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(6-fluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;6-(6-fluoro-4H-pyridin-4-id-3-yl)-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;tris(platinum(2+));(1S)-5,19,21-trifluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene
SMILESCC1(C)c2cccc3[n+]2[C@]2(c4cc(F)nc(F)c4-3)c3cnc(C#N)n3-c3cccc1[n+]32.CC1(C)c2cccc3[n+]2[C@]2(c4cc(F)nc(F)c4-3)c3cnc(C(F)(F)F)n3-c3cccc1[n+]32.CC1(C)c2cccc3[n+]2[C@]2(c4cc(F)nc(F)c4-3)c3cnc(F)n3-c3cccc1[n+]32.CC1(C)c2cccc3[n+]2[C@]2(c4cc(F)nc(F)c4-3)c3cncn3-c3cccc1[n+]32.Cc1cc(-c2[c-]cc(F)nc2)nc(N(c2ccccc2)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)c1.Cc1cc(-c2[c-]cc(F)nc2F)nc(N(c2ccccc2)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)c1.Cc1ncc2n1-c1cccc3[n+]1[C@@]21c2cc(F)nc(F)c2-c2cccc([n+]21)C3(C)C.Fc1c[c-]c(-c2cccc(N(c3ccccc3)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)cn1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C26H15F5N6.C26H16F4N6.C25H14F4N6.C23H14F5N5.C23H14F2N6.C23H17F2N5.C22H14F3N5.C22H15F2N5.3Pt/c1-16-14-19(18-10-11-21(27)33-25(18)28)32-24(15-16)37(17-6-3-2-4-7-17)23-9-5-8-22(34-23)36-13-12-20(35-36)26(29,30)31;1-17-14-20(18-10-11-22(27)31-16-18)32-25(15-17)36(19-6-3-2-4-7-19)24-9-5-8-23(33-24)35-13-12-21(34-35)26(28,29)30;26-21-13-12-17(16-30-21)19-8-4-10-23(31-19)35(18-6-2-1-3-7-18)24-11-5-9-22(32-24)34-15-14-20(33-34)25(27,28)29;1-21(2)13-6-3-5-12-18-11(9-16(24)30-19(18)25)22(32(12)13)15-10-29-20(23(26,27)28)31(15)17-8-4-7-14(21)33(17)22;1-22(2)14-6-3-5-13-20-12(9-17(24)28-21(20)25)23(30(13)14)16-11-27-18(10-26)29(16)19-8-4-7-15(22)31(19)23;1-12-26-11-17-23-13-10-18(24)27-21(25)20(13)14-6-4-7-15(29(14)23)22(2,3)16-8-5-9-19(28(12)17)30(16)23;1-21(2)13-6-3-5-12-18-11(9-16(23)27-19(18)24)22(29(12)13)15-10-26-20(25)28(15)17-8-4-7-14(21)30(17)22;1-21(2)14-6-3-5-13-19-12(9-17(23)26-20(19)24)22(28(13)14)16-10-25-11-27(16)18-8-4-7-15(21)29(18)22;;;/h2-9,11-12,14-15H,1H3;2-9,11-12,14-16H,1H3;1-11,13-14,16H;3-10H,1-2H3;3-9,11H,1-2H3;4-11H,1-3H3;3-10H,1-2H3;3-11H,1-2H3;;;/q3*-2;8*+2/t;;;22-;2*23-;2*22-;;;/m...00000.../s1
InChIKeyFJMUQFWCZMEZHF-XBJJCFNFSA-N
MW4116.53 g/mol
LogP31.70
Rot. Bonds15

About (1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene-5-carbonitrile;(1S)-19,21-difluoro-12,12-dimethyl-5-(trifluoromethyl)-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;(1S)-19,21-difluoro-5,12,12-trimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(6-fluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;6-(6-fluoro-4H-pyridin-4-id-3-yl)-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;tris(platinum(2+));(1S)-5,19,21-trifluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene

(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene-5-carbonitrile;(1S)-19,21-difluoro-12,12-dimethyl-5-(trifluoromethyl)-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;(1S)-19,21-difluoro-5,12,12-trimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(6-fluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;6-(6-fluoro-4H-pyridin-4-id-3-yl)-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;tris(platinum(2+));(1S)-5,19,21-trifluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene (PubChem CID 158150792) has the molecular formula C190H119F27N44Pt3+10 and a molecular weight of 4116.53 g/mol. Its IUPAC name is (1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene-5-carbonitrile;(1S)-19,21-difluoro-12,12-dimethyl-5-(trifluoromethyl)-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;(1S)-19,21-difluoro-5,12,12-trimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(6-fluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;6-(6-fluoro-4H-pyridin-4-id-3-yl)-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;tris(platinum(2+));(1S)-5,19,21-trifluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene.

Molecular Properties

Compound Name(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene-5-carbonitrile;(1S)-19,21-difluoro-12,12-dimethyl-5-(trifluoromethyl)-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;(1S)-19,21-difluoro-5,12,12-trimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(6-fluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;6-(6-fluoro-4H-pyridin-4-id-3-yl)-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;tris(platinum(2+));(1S)-5,19,21-trifluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene
PubChem CID158150792
Molecular FormulaC190H119F27N44Pt3+10
Molecular Weight4116.53 g/mol
Exact Mass4113.91
IUPAC Name(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene-5-carbonitrile;(1S)-19,21-difluoro-12,12-dimethyl-5-(trifluoromethyl)-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;(1S)-19,21-difluoro-5,12,12-trimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(6-fluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;6-(6-fluoro-4H-pyridin-4-id-3-yl)-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;tris(platinum(2+));(1S)-5,19,21-trifluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene
SMILESCC1(C)c2cccc3[n+]2[C@]2(c4cc(F)nc(F)c4-3)c3cnc(C#N)n3-c3cccc1[n+]32.CC1(C)c2cccc3[n+]2[C@]2(c4cc(F)nc(F)c4-3)c3cnc(C(F)(F)F)n3-c3cccc1[n+]32.CC1(C)c2cccc3[n+]2[C@]2(c4cc(F)nc(F)c4-3)c3cnc(F)n3-c3cccc1[n+]32.CC1(C)c2cccc3[n+]2[C@]2(c4cc(F)nc(F)c4-3)c3cncn3-c3cccc1[n+]32.Cc1cc(-c2[c-]cc(F)nc2)nc(N(c2ccccc2)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)c1.Cc1cc(-c2[c-]cc(F)nc2F)nc(N(c2ccccc2)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)c1.Cc1ncc2n1-c1cccc3[n+]1[C@@]21c2cc(F)nc(F)c2-c2cccc([n+]21)C3(C)C.Fc1c[c-]c(-c2cccc(N(c3ccccc3)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)cn1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C26H15F5N6.C26H16F4N6.C25H14F4N6.C23H14F5N5.C23H14F2N6.C23H17F2N5.C22H14F3N5.C22H15F2N5.3Pt/c1-16-14-19(18-10-11-21(27)33-25(18)28)32-24(15-16)37(17-6-3-2-4-7-17)23-9-5-8-22(34-23)36-13-12-20(35-36)26(29,30)31;1-17-14-20(18-10-11-22(27)31-16-18)32-25(15-17)36(19-6-3-2-4-7-19)24-9-5-8-23(33-24)35-13-12-21(34-35)26(28,29)30;26-21-13-12-17(16-30-21)19-8-4-10-23(31-19)35(18-6-2-1-3-7-18)24-11-5-9-22(32-24)34-15-14-20(33-34)25(27,28)29;1-21(2)13-6-3-5-12-18-11(9-16(24)30-19(18)25)22(32(12)13)15-10-29-20(23(26,27)28)31(15)17-8-4-7-14(21)33(17)22;1-22(2)14-6-3-5-13-20-12(9-17(24)28-21(20)25)23(30(13)14)16-11-27-18(10-26)29(16)19-8-4-7-15(22)31(19)23;1-12-26-11-17-23-13-10-18(24)27-21(25)20(13)14-6-4-7-15(29(14)23)22(2,3)16-8-5-9-19(28(12)17)30(16)23;1-21(2)13-6-3-5-12-18-11(9-16(23)27-19(18)24)22(29(12)13)15-10-26-20(25)28(15)17-8-4-7-14(21)30(17)22;1-21(2)14-6-3-5-13-19-12(9-17(23)26-20(19)24)22(28(13)14)16-10-25-11-27(16)18-8-4-7-15(21)29(18)22;;;/h2-9,11-12,14-15H,1H3;2-9,11-12,14-16H,1H3;1-11,13-14,16H;3-10H,1-2H3;3-9,11H,1-2H3;4-11H,1-3H3;3-10H,1-2H3;3-11H,1-2H3;;;/q3*-2;8*+2/t;;;22-;2*23-;2*22-;;;/m...00000.../s1
InChIKeyFJMUQFWCZMEZHF-XBJJCFNFSA-N
XLogP31.70
TPSA395.33 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds15
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004116.53
LogP ≤ 531.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze (1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene-5-carbonitrile;(1S)-19,21-difluoro-12,12-dimethyl-5-(trifluoromethyl)-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;(1S)-19,21-difluoro-5,12,12-trimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(6-fluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;6-(6-fluoro-4H-pyridin-4-id-3-yl)-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;tris(platinum(2+));(1S)-5,19,21-trifluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene-5-carbonitrile;(1S)-19,21-difluoro-12,12-dimethyl-5-(trifluoromethyl)-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;(1S)-19,21-difluoro-5,12,12-trimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(6-fluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;6-(6-fluoro-4H-pyridin-4-id-3-yl)-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;tris(platinum(2+));(1S)-5,19,21-trifluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene?
The IUPAC name of (1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene-5-carbonitrile;(1S)-19,21-difluoro-12,12-dimethyl-5-(trifluoromethyl)-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;(1S)-19,21-difluoro-5,12,12-trimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(6-fluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;6-(6-fluoro-4H-pyridin-4-id-3-yl)-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;tris(platinum(2+));(1S)-5,19,21-trifluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene (CID 158150792) is (1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene-5-carbonitrile;(1S)-19,21-difluoro-12,12-dimethyl-5-(trifluoromethyl)-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;(1S)-19,21-difluoro-5,12,12-trimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(6-fluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;6-(6-fluoro-4H-pyridin-4-id-3-yl)-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;tris(platinum(2+));(1S)-5,19,21-trifluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene.
What is the SMILES notation for (1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene-5-carbonitrile;(1S)-19,21-difluoro-12,12-dimethyl-5-(trifluoromethyl)-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;(1S)-19,21-difluoro-5,12,12-trimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(6-fluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;6-(6-fluoro-4H-pyridin-4-id-3-yl)-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;tris(platinum(2+));(1S)-5,19,21-trifluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene?
The canonical SMILES for (1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene-5-carbonitrile;(1S)-19,21-difluoro-12,12-dimethyl-5-(trifluoromethyl)-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;(1S)-19,21-difluoro-5,12,12-trimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(6-fluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;6-(6-fluoro-4H-pyridin-4-id-3-yl)-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;tris(platinum(2+));(1S)-5,19,21-trifluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene is CC1(C)c2cccc3[n+]2[C@]2(c4cc(F)nc(F)c4-3)c3cnc(C#N)n3-c3cccc1[n+]32.CC1(C)c2cccc3[n+]2[C@]2(c4cc(F)nc(F)c4-3)c3cnc(C(F)(F)F)n3-c3cccc1[n+]32.CC1(C)c2cccc3[n+]2[C@]2(c4cc(F)nc(F)c4-3)c3cnc(F)n3-c3cccc1[n+]32.CC1(C)c2cccc3[n+]2[C@]2(c4cc(F)nc(F)c4-3)c3cncn3-c3cccc1[n+]32.Cc1cc(-c2[c-]cc(F)nc2)nc(N(c2ccccc2)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)c1.Cc1cc(-c2[c-]cc(F)nc2F)nc(N(c2ccccc2)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)c1.Cc1ncc2n1-c1cccc3[n+]1[C@@]21c2cc(F)nc(F)c2-c2cccc([n+]21)C3(C)C.Fc1c[c-]c(-c2cccc(N(c3ccccc3)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)cn1.[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of (1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene-5-carbonitrile;(1S)-19,21-difluoro-12,12-dimethyl-5-(trifluoromethyl)-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;(1S)-19,21-difluoro-5,12,12-trimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(6-fluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;6-(6-fluoro-4H-pyridin-4-id-3-yl)-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;tris(platinum(2+));(1S)-5,19,21-trifluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene?
The InChIKey is FJMUQFWCZMEZHF-XBJJCFNFSA-N. The full InChI is InChI=1S/C26H15F5N6.C26H16F4N6.C25H14F4N6.C23H14F5N5.C23H14F2N6.C23H17F2N5.C22H14F3N5.C22H15F2N5.3Pt/c1-16-14-19(18-10-11-21(27)33-25(18)28)32-24(15-16)37(17-6-3-2-4-7-17)23-9-5-8-22(34-23)36-13-12-20(35-36)26(29,30)31;1-17-14-20(18-10-11-22(27)31-16-18)32-25(15-17)36(19-6-3-2-4-7-19)24-9-5-8-23(33-24)35-13-12-21(34-35)26(28,29)30;26-21-13-12-17(16-30-21)19-8-4-10-23(31-19)35(18-6-2-1-3-7-18)24-11-5-9-22(32-24)34-15-14-20(33-34)25(27,28)29;1-21(2)13-6-3-5-12-18-11(9-16(24)30-19(18)25)22(32(12)13)15-10-29-20(23(26,27)28)31(15)17-8-4-7-14(21)33(17)22;1-22(2)14-6-3-5-13-20-12(9-17(24)28-21(20)25)23(30(13)14)16-11-27-18(10-26)29(16)19-8-4-7-15(22)31(19)23;1-12-26-11-17-23-13-10-18(24)27-21(25)20(13)14-6-4-7-15(29(14)23)22(2,3)16-8-5-9-19(28(12)17)30(16)23;1-21(2)13-6-3-5-12-18-11(9-16(23)27-19(18)24)22(29(12)13)15-10-26-20(25)28(15)17-8-4-7-14(21)30(17)22;1-21(2)14-6-3-5-13-19-12(9-17(23)26-20(19)24)22(28(13)14)16-10-25-11-27(16)18-8-4-7-15(21)29(18)22;;;/h2-9,11-12,14-15H,1H3;2-9,11-12,14-16H,1H3;1-11,13-14,16H;3-10H,1-2H3;3-9,11H,1-2H3;4-11H,1-3H3;3-10H,1-2H3;3-11H,1-2H3;;;/q3*-2;8*+2/t;;;22-;2*23-;2*22-;;;/m...00000.../s1.
What are the key properties of (1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene-5-carbonitrile;(1S)-19,21-difluoro-12,12-dimethyl-5-(trifluoromethyl)-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;(1S)-19,21-difluoro-5,12,12-trimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(6-fluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;6-(6-fluoro-4H-pyridin-4-id-3-yl)-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;tris(platinum(2+));(1S)-5,19,21-trifluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene?
(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene-5-carbonitrile;(1S)-19,21-difluoro-12,12-dimethyl-5-(trifluoromethyl)-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;(1S)-19,21-difluoro-5,12,12-trimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(6-fluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;6-(6-fluoro-4H-pyridin-4-id-3-yl)-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;tris(platinum(2+));(1S)-5,19,21-trifluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene has a molecular weight of 4116.53 g/mol, XLogP of 31.70, 15 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;(1S)-19,21-difluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene-5-carbonitrile;(1S)-19,21-difluoro-12,12-dimethyl-5-(trifluoromethyl)-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;(1S)-19,21-difluoro-5,12,12-trimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene;6-(6-fluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;6-(6-fluoro-4H-pyridin-4-id-3-yl)-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;tris(platinum(2+));(1S)-5,19,21-trifluoro-12,12-dimethyl-4,6,20-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene is sourced from PubChem (CID 158150792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).