(6-amino-3-pyridinyl) 2-[4-[2-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[2-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate

C246H144F18N42O48 — CID 159302912

IUPAC(6-amino-3-pyridinyl) 2-[4-[2-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[2-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate
SMILESCc1cc(N2C(=O)c3ccc(C(=O)Oc4ccc(N)nc4)cc3C2=O)ccc1-c1ccc(N2C(=O)c3ccc(C(=O)Oc4ccc(N)nc4)cc3C2=O)cc1C(F)(F)F.Cc1cc(N2C(=O)c3ccc(C(=O)Oc4ncc(N)cn4)cc3C2=O)ccc1-c1ccc(N2C(=O)c3ccc(C(=O)Oc4ncc(N)cn4)cc3C2=O)cc1C(F)(F)F.Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(c4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)nc7)cc6C5=O)cc4)(C(F)(F)F)C(F)(F)F)cc2)C3=O)cn1.Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cc4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)nc7)cc6C5=O)cc4)cc2)C3=O)cn1.Nc1cnc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(c4ccc(N5C(=O)c6ccc(C(=O)Oc7ncc(N)cn7)cc6C5=O)cc4)(C(F)(F)F)C(F)(F)F)cc2)C3=O)nc1.Nc1cnc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cc4ccc(N5C(=O)c6ccc(C(=O)Oc7ncc(N)cn7)cc6C5=O)cc4)cc2)C3=O)nc1
InChIInChI=1S/C43H24F6N6O8.C42H25F3N6O8.C41H22F6N8O8.C41H26N6O8.C40H23F3N8O8.C39H24N8O8/c44-42(45,46)41(43(47,48)49,23-3-7-25(8-4-23)54-35(56)29-13-1-21(17-31(29)37(54)58)39(60)62-27-11-15-33(50)52-19-27)24-5-9-26(10-6-24)55-36(57)30-14-2-22(18-32(30)38(55)59)40(61)63-28-12-16-34(51)53-20-28;1-20-14-23(50-36(52)29-8-2-21(15-31(29)38(50)54)40(56)58-25-6-12-34(46)48-18-25)4-10-27(20)28-11-5-24(17-33(28)42(43,44)45)51-37(53)30-9-3-22(16-32(30)39(51)55)41(57)59-26-7-13-35(47)49-19-26;42-40(43,44)39(41(45,46)47,21-3-7-25(8-4-21)54-31(56)27-11-1-19(13-29(27)33(54)58)35(60)62-37-50-15-23(48)16-51-37)22-5-9-26(10-6-22)55-32(57)28-12-2-20(14-30(28)34(55)59)36(61)63-38-52-17-24(49)18-53-38;42-34-15-11-28(20-44-34)54-40(52)24-5-13-30-32(18-24)38(50)46(36(30)48)26-7-1-22(2-8-26)17-23-3-9-27(10-4-23)47-37(49)31-14-6-25(19-33(31)39(47)51)41(53)55-29-12-16-35(43)45-21-29;1-18-10-23(50-32(52)27-6-2-19(11-29(27)34(50)54)36(56)58-38-46-14-21(44)15-47-38)4-8-25(18)26-9-5-24(13-31(26)40(41,42)43)51-33(53)28-7-3-20(12-30(28)35(51)55)37(57)59-39-48-16-22(45)17-49-39;40-24-16-42-38(43-17-24)54-36(52)22-5-11-28-30(14-22)34(50)46(32(28)48)26-7-1-20(2-8-26)13-21-3-9-27(10-4-21)47-33(49)29-12-6-23(15-31(29)35(47)51)37(53)55-39-44-18-25(41)19-45-39/h1-20H,(H2,50,52)(H2,51,53);2-19H,1H3,(H2,46,48)(H2,47,49);1-18H,48-49H2;1-16,18-21H,17H2,(H2,42,44)(H2,43,45);2-17H,44-45H2,1H3;1-12,14-19H,13,40-41H2
InChIKeyLBOCLQUSRRPHOM-UHFFFAOYSA-N
MW4798.07 g/mol
LogP34.45
Rot. Bonds46

About (6-amino-3-pyridinyl) 2-[4-[2-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[2-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate

(6-amino-3-pyridinyl) 2-[4-[2-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[2-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate (PubChem CID 159302912) has the molecular formula C246H144F18N42O48 and a molecular weight of 4798.07 g/mol. Its IUPAC name is (6-amino-3-pyridinyl) 2-[4-[2-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[2-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate.

Molecular Properties

Compound Name(6-amino-3-pyridinyl) 2-[4-[2-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[2-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate
PubChem CID159302912
Molecular FormulaC246H144F18N42O48
Molecular Weight4798.07 g/mol
Exact Mass4794.98
IUPAC Name(6-amino-3-pyridinyl) 2-[4-[2-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[2-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate
SMILESCc1cc(N2C(=O)c3ccc(C(=O)Oc4ccc(N)nc4)cc3C2=O)ccc1-c1ccc(N2C(=O)c3ccc(C(=O)Oc4ccc(N)nc4)cc3C2=O)cc1C(F)(F)F.Cc1cc(N2C(=O)c3ccc(C(=O)Oc4ncc(N)cn4)cc3C2=O)ccc1-c1ccc(N2C(=O)c3ccc(C(=O)Oc4ncc(N)cn4)cc3C2=O)cc1C(F)(F)F.Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(c4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)nc7)cc6C5=O)cc4)(C(F)(F)F)C(F)(F)F)cc2)C3=O)cn1.Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cc4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)nc7)cc6C5=O)cc4)cc2)C3=O)cn1.Nc1cnc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(c4ccc(N5C(=O)c6ccc(C(=O)Oc7ncc(N)cn7)cc6C5=O)cc4)(C(F)(F)F)C(F)(F)F)cc2)C3=O)nc1.Nc1cnc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cc4ccc(N5C(=O)c6ccc(C(=O)Oc7ncc(N)cn7)cc6C5=O)cc4)cc2)C3=O)nc1
InChIInChI=1S/C43H24F6N6O8.C42H25F3N6O8.C41H22F6N8O8.C41H26N6O8.C40H23F3N8O8.C39H24N8O8/c44-42(45,46)41(43(47,48)49,23-3-7-25(8-4-23)54-35(56)29-13-1-21(17-31(29)37(54)58)39(60)62-27-11-15-33(50)52-19-27)24-5-9-26(10-6-24)55-36(57)30-14-2-22(18-32(30)38(55)59)40(61)63-28-12-16-34(51)53-20-28;1-20-14-23(50-36(52)29-8-2-21(15-31(29)38(50)54)40(56)58-25-6-12-34(46)48-18-25)4-10-27(20)28-11-5-24(17-33(28)42(43,44)45)51-37(53)30-9-3-22(16-32(30)39(51)55)41(57)59-26-7-13-35(47)49-19-26;42-40(43,44)39(41(45,46)47,21-3-7-25(8-4-21)54-31(56)27-11-1-19(13-29(27)33(54)58)35(60)62-37-50-15-23(48)16-51-37)22-5-9-26(10-6-22)55-32(57)28-12-2-20(14-30(28)34(55)59)36(61)63-38-52-17-24(49)18-53-38;42-34-15-11-28(20-44-34)54-40(52)24-5-13-30-32(18-24)38(50)46(36(30)48)26-7-1-22(2-8-26)17-23-3-9-27(10-4-23)47-37(49)31-14-6-25(19-33(31)39(47)51)41(53)55-29-12-16-35(43)45-21-29;1-18-10-23(50-32(52)27-6-2-19(11-29(27)34(50)54)36(56)58-38-46-14-21(44)15-47-38)4-8-25(18)26-9-5-24(13-31(26)40(41,42)43)51-33(53)28-7-3-20(12-30(28)35(51)55)37(57)59-39-48-16-22(45)17-49-39;40-24-16-42-38(43-17-24)54-36(52)22-5-11-28-30(14-22)34(50)46(32(28)48)26-7-1-20(2-8-26)13-21-3-9-27(10-4-21)47-33(49)29-12-6-23(15-31(29)35(47)51)37(53)55-39-44-18-25(41)19-45-39/h1-20H,(H2,50,52)(H2,51,53);2-19H,1H3,(H2,46,48)(H2,47,49);1-18H,48-49H2;1-16,18-21H,17H2,(H2,42,44)(H2,43,45);2-17H,44-45H2,1H3;1-12,14-19H,13,40-41H2
InChIKeyLBOCLQUSRRPHOM-UHFFFAOYSA-N
XLogP34.45
TPSA1308.42 Ų
H-Bond Donors12
H-Bond Acceptors78
Rotatable Bonds46
Heavy Atoms354
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004798.07
LogP ≤ 534.45
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1078

Analyze (6-amino-3-pyridinyl) 2-[4-[2-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[2-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl) 2-[4-[2-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[2-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate?
The IUPAC name of (6-amino-3-pyridinyl) 2-[4-[2-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[2-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate (CID 159302912) is (6-amino-3-pyridinyl) 2-[4-[2-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[2-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate.
What is the SMILES notation for (6-amino-3-pyridinyl) 2-[4-[2-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[2-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate?
The canonical SMILES for (6-amino-3-pyridinyl) 2-[4-[2-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[2-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate is Cc1cc(N2C(=O)c3ccc(C(=O)Oc4ccc(N)nc4)cc3C2=O)ccc1-c1ccc(N2C(=O)c3ccc(C(=O)Oc4ccc(N)nc4)cc3C2=O)cc1C(F)(F)F.Cc1cc(N2C(=O)c3ccc(C(=O)Oc4ncc(N)cn4)cc3C2=O)ccc1-c1ccc(N2C(=O)c3ccc(C(=O)Oc4ncc(N)cn4)cc3C2=O)cc1C(F)(F)F.Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(c4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)nc7)cc6C5=O)cc4)(C(F)(F)F)C(F)(F)F)cc2)C3=O)cn1.Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cc4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)nc7)cc6C5=O)cc4)cc2)C3=O)cn1.Nc1cnc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(c4ccc(N5C(=O)c6ccc(C(=O)Oc7ncc(N)cn7)cc6C5=O)cc4)(C(F)(F)F)C(F)(F)F)cc2)C3=O)nc1.Nc1cnc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cc4ccc(N5C(=O)c6ccc(C(=O)Oc7ncc(N)cn7)cc6C5=O)cc4)cc2)C3=O)nc1.
What is the InChIKey of (6-amino-3-pyridinyl) 2-[4-[2-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[2-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate?
The InChIKey is LBOCLQUSRRPHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24F6N6O8.C42H25F3N6O8.C41H22F6N8O8.C41H26N6O8.C40H23F3N8O8.C39H24N8O8/c44-42(45,46)41(43(47,48)49,23-3-7-25(8-4-23)54-35(56)29-13-1-21(17-31(29)37(54)58)39(60)62-27-11-15-33(50)52-19-27)24-5-9-26(10-6-24)55-36(57)30-14-2-22(18-32(30)38(55)59)40(61)63-28-12-16-34(51)53-20-28;1-20-14-23(50-36(52)29-8-2-21(15-31(29)38(50)54)40(56)58-25-6-12-34(46)48-18-25)4-10-27(20)28-11-5-24(17-33(28)42(43,44)45)51-37(53)30-9-3-22(16-32(30)39(51)55)41(57)59-26-7-13-35(47)49-19-26;42-40(43,44)39(41(45,46)47,21-3-7-25(8-4-21)54-31(56)27-11-1-19(13-29(27)33(54)58)35(60)62-37-50-15-23(48)16-51-37)22-5-9-26(10-6-22)55-32(57)28-12-2-20(14-30(28)34(55)59)36(61)63-38-52-17-24(49)18-53-38;42-34-15-11-28(20-44-34)54-40(52)24-5-13-30-32(18-24)38(50)46(36(30)48)26-7-1-22(2-8-26)17-23-3-9-27(10-4-23)47-37(49)31-14-6-25(19-33(31)39(47)51)41(53)55-29-12-16-35(43)45-21-29;1-18-10-23(50-32(52)27-6-2-19(11-29(27)34(50)54)36(56)58-38-46-14-21(44)15-47-38)4-8-25(18)26-9-5-24(13-31(26)40(41,42)43)51-33(53)28-7-3-20(12-30(28)35(51)55)37(57)59-39-48-16-22(45)17-49-39;40-24-16-42-38(43-17-24)54-36(52)22-5-11-28-30(14-22)34(50)46(32(28)48)26-7-1-20(2-8-26)13-21-3-9-27(10-4-21)47-33(49)29-12-6-23(15-31(29)35(47)51)37(53)55-39-44-18-25(41)19-45-39/h1-20H,(H2,50,52)(H2,51,53);2-19H,1H3,(H2,46,48)(H2,47,49);1-18H,48-49H2;1-16,18-21H,17H2,(H2,42,44)(H2,43,45);2-17H,44-45H2,1H3;1-12,14-19H,13,40-41H2.
What are the key properties of (6-amino-3-pyridinyl) 2-[4-[2-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[2-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate?
(6-amino-3-pyridinyl) 2-[4-[2-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[2-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate has a molecular weight of 4798.07 g/mol, XLogP of 34.45, 46 rotatable bonds, 12 hydrogen bond donors, and 78 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-pyridinyl) 2-[4-[2-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(6-amino-3-pyridinyl) 2-[4-[4-[5-[(6-amino-3-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[2-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-aminopyrimidin-2-yl) 2-[4-[4-[5-(5-aminopyrimidin-2-yl)oxycarbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate is sourced from PubChem (CID 159302912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).