6-N-[[4-(2-amino-3,4-dioxocyclobuten-1-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]methyl]-4-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide

C188H170N46O27 — CID 160711651

IUPAC6-N-[[4-(2-amino-3,4-dioxocyclobuten-1-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]methyl]-4-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
SMILESC=C1N=C(c2ccc3c(c2)CC[C@@H]3NC(=O)c2cc(C(=O)NCc3ccc4c(c3)N(c3c(N)c(=O)c3=O)CCC4)ncn2)NO1.C=C1N=C(c2ccc3c(c2C)CC[C@@H]3NC(=O)c2cc(C(=O)NCc3ccc4c(c3)N(c3c(N)c(=O)c3=O)CCC4)ncn2)NO1.Cc1c(-c2ncn[nH]2)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)N(c2c(N)c(=O)c2=O)CCC3)ncn1.Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)N(c2c(N)c(=O)c2=O)CCO3)ncn1.Cc1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)N(c2c(N)c(=O)c2=O)CCC3)ncn1.Nc1c(N2CCCc3ccc(CNC(=O)c4cc(C(=O)N[C@H]5CCc6cc(-c7ncn[nH]7)ccc65)ncn4)cc32)c(=O)c1=O
InChIInChI=1S/C33H30N8O5.C32H29N9O4.C32H28N8O5.C31H27N9O4.C31H30N6O4.C29H26N6O5/c1-16-20-9-10-23(22(20)8-7-21(16)31-38-17(2)46-40-31)39-33(45)25-13-24(36-15-37-25)32(44)35-14-18-5-6-19-4-3-11-41(26(19)12-18)28-27(34)29(42)30(28)43;1-16-19-8-9-22(21(19)7-6-20(16)30-37-15-38-40-30)39-32(45)24-12-23(35-14-36-24)31(44)34-13-17-4-5-18-3-2-10-41(25(18)11-17)27-26(33)28(42)29(27)43;1-16-37-30(39-45-16)20-6-8-21-19(12-20)7-9-22(21)38-32(44)24-13-23(35-15-36-24)31(43)34-14-17-4-5-18-3-2-10-40(25(18)11-17)27-26(33)28(41)29(27)42;32-25-26(28(42)27(25)41)40-9-1-2-17-4-3-16(10-24(17)40)13-33-30(43)22-12-23(35-14-34-22)31(44)38-21-8-6-18-11-19(5-7-20(18)21)29-36-15-37-39-29;1-16-5-8-21-20(17(16)2)9-10-22(21)36-31(41)24-13-23(34-15-35-24)30(40)33-14-18-6-7-19-4-3-11-37(25(19)12-18)27-26(32)28(38)29(27)39;1-15-2-5-18-17(10-15)4-6-19(18)34-29(39)21-12-20(32-14-33-21)28(38)31-13-16-3-7-23-22(11-16)35(8-9-40-23)25-24(30)26(36)27(25)37/h5-8,12-13,15,23H,2-4,9-11,14,34H2,1H3,(H,35,44)(H,38,40)(H,39,45);4-7,11-12,14-15,22H,2-3,8-10,13,33H2,1H3,(H,34,44)(H,39,45)(H,37,38,40);4-6,8,11-13,15,22H,1-3,7,9-10,14,33H2,(H,34,43)(H,37,39)(H,38,44);3-5,7,10-12,14-15,21H,1-2,6,8-9,13,32H2,(H,33,43)(H,38,44)(H,36,37,39);5-8,12-13,15,22H,3-4,9-11,14,32H2,1-2H3,(H,33,40)(H,36,41);2-3,5,7,10-12,14,19H,4,6,8-9,13,30H2,1H3,(H,31,38)(H,34,39)/t23-;2*22-;21-;22-;19-/m000000/s1
InChIKeyRRYAUOQZZPRDBZ-QBCILRHTSA-N
MW3505.72 g/mol
LogP12.58
Rot. Bonds40

About 6-N-[[4-(2-amino-3,4-dioxocyclobuten-1-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]methyl]-4-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide

6-N-[[4-(2-amino-3,4-dioxocyclobuten-1-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]methyl]-4-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide (PubChem CID 160711651) has the molecular formula C188H170N46O27 and a molecular weight of 3505.72 g/mol. Its IUPAC name is 6-N-[[4-(2-amino-3,4-dioxocyclobuten-1-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]methyl]-4-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[[4-(2-amino-3,4-dioxocyclobuten-1-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]methyl]-4-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
PubChem CID160711651
Molecular FormulaC188H170N46O27
Molecular Weight3505.72 g/mol
Exact Mass3503.33
IUPAC Name6-N-[[4-(2-amino-3,4-dioxocyclobuten-1-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]methyl]-4-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
SMILESC=C1N=C(c2ccc3c(c2)CC[C@@H]3NC(=O)c2cc(C(=O)NCc3ccc4c(c3)N(c3c(N)c(=O)c3=O)CCC4)ncn2)NO1.C=C1N=C(c2ccc3c(c2C)CC[C@@H]3NC(=O)c2cc(C(=O)NCc3ccc4c(c3)N(c3c(N)c(=O)c3=O)CCC4)ncn2)NO1.Cc1c(-c2ncn[nH]2)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)N(c2c(N)c(=O)c2=O)CCC3)ncn1.Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)N(c2c(N)c(=O)c2=O)CCO3)ncn1.Cc1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)N(c2c(N)c(=O)c2=O)CCC3)ncn1.Nc1c(N2CCCc3ccc(CNC(=O)c4cc(C(=O)N[C@H]5CCc6cc(-c7ncn[nH]7)ccc65)ncn4)cc32)c(=O)c1=O
InChIInChI=1S/C33H30N8O5.C32H29N9O4.C32H28N8O5.C31H27N9O4.C31H30N6O4.C29H26N6O5/c1-16-20-9-10-23(22(20)8-7-21(16)31-38-17(2)46-40-31)39-33(45)25-13-24(36-15-37-25)32(44)35-14-18-5-6-19-4-3-11-41(26(19)12-18)28-27(34)29(42)30(28)43;1-16-19-8-9-22(21(19)7-6-20(16)30-37-15-38-40-30)39-32(45)24-12-23(35-14-36-24)31(44)34-13-17-4-5-18-3-2-10-41(25(18)11-17)27-26(33)28(42)29(27)43;1-16-37-30(39-45-16)20-6-8-21-19(12-20)7-9-22(21)38-32(44)24-13-23(35-15-36-24)31(43)34-14-17-4-5-18-3-2-10-40(25(18)11-17)27-26(33)28(41)29(27)42;32-25-26(28(42)27(25)41)40-9-1-2-17-4-3-16(10-24(17)40)13-33-30(43)22-12-23(35-14-34-22)31(44)38-21-8-6-18-11-19(5-7-20(18)21)29-36-15-37-39-29;1-16-5-8-21-20(17(16)2)9-10-22(21)36-31(41)24-13-23(34-15-35-24)30(40)33-14-18-6-7-19-4-3-11-37(25(19)12-18)27-26(32)28(38)29(27)39;1-15-2-5-18-17(10-15)4-6-19(18)34-29(39)21-12-20(32-14-33-21)28(38)31-13-16-3-7-23-22(11-16)35(8-9-40-23)25-24(30)26(36)27(25)37/h5-8,12-13,15,23H,2-4,9-11,14,34H2,1H3,(H,35,44)(H,38,40)(H,39,45);4-7,11-12,14-15,22H,2-3,8-10,13,33H2,1H3,(H,34,44)(H,39,45)(H,37,38,40);4-6,8,11-13,15,22H,1-3,7,9-10,14,33H2,(H,34,43)(H,37,39)(H,38,44);3-5,7,10-12,14-15,21H,1-2,6,8-9,13,32H2,(H,33,43)(H,38,44)(H,36,37,39);5-8,12-13,15,22H,3-4,9-11,14,32H2,1-2H3,(H,33,40)(H,36,41);2-3,5,7,10-12,14,19H,4,6,8-9,13,30H2,1H3,(H,31,38)(H,34,39)/t23-;2*22-;21-;22-;19-/m000000/s1
InChIKeyRRYAUOQZZPRDBZ-QBCILRHTSA-N
XLogP12.58
TPSA1043.89 Ų
H-Bond Donors22
H-Bond Acceptors59
Rotatable Bonds40
Heavy Atoms261
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003505.72
LogP ≤ 512.58
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1059

Analyze 6-N-[[4-(2-amino-3,4-dioxocyclobuten-1-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]methyl]-4-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide with MolForge

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What is the IUPAC name of 6-N-[[4-(2-amino-3,4-dioxocyclobuten-1-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]methyl]-4-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide?
The IUPAC name of 6-N-[[4-(2-amino-3,4-dioxocyclobuten-1-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]methyl]-4-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide (CID 160711651) is 6-N-[[4-(2-amino-3,4-dioxocyclobuten-1-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]methyl]-4-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide.
What is the SMILES notation for 6-N-[[4-(2-amino-3,4-dioxocyclobuten-1-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]methyl]-4-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide?
The canonical SMILES for 6-N-[[4-(2-amino-3,4-dioxocyclobuten-1-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]methyl]-4-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide is C=C1N=C(c2ccc3c(c2)CC[C@@H]3NC(=O)c2cc(C(=O)NCc3ccc4c(c3)N(c3c(N)c(=O)c3=O)CCC4)ncn2)NO1.C=C1N=C(c2ccc3c(c2C)CC[C@@H]3NC(=O)c2cc(C(=O)NCc3ccc4c(c3)N(c3c(N)c(=O)c3=O)CCC4)ncn2)NO1.Cc1c(-c2ncn[nH]2)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)N(c2c(N)c(=O)c2=O)CCC3)ncn1.Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)N(c2c(N)c(=O)c2=O)CCO3)ncn1.Cc1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)N(c2c(N)c(=O)c2=O)CCC3)ncn1.Nc1c(N2CCCc3ccc(CNC(=O)c4cc(C(=O)N[C@H]5CCc6cc(-c7ncn[nH]7)ccc65)ncn4)cc32)c(=O)c1=O.
What is the InChIKey of 6-N-[[4-(2-amino-3,4-dioxocyclobuten-1-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]methyl]-4-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide?
The InChIKey is RRYAUOQZZPRDBZ-QBCILRHTSA-N. The full InChI is InChI=1S/C33H30N8O5.C32H29N9O4.C32H28N8O5.C31H27N9O4.C31H30N6O4.C29H26N6O5/c1-16-20-9-10-23(22(20)8-7-21(16)31-38-17(2)46-40-31)39-33(45)25-13-24(36-15-37-25)32(44)35-14-18-5-6-19-4-3-11-41(26(19)12-18)28-27(34)29(42)30(28)43;1-16-19-8-9-22(21(19)7-6-20(16)30-37-15-38-40-30)39-32(45)24-12-23(35-14-36-24)31(44)34-13-17-4-5-18-3-2-10-41(25(18)11-17)27-26(33)28(42)29(27)43;1-16-37-30(39-45-16)20-6-8-21-19(12-20)7-9-22(21)38-32(44)24-13-23(35-15-36-24)31(43)34-14-17-4-5-18-3-2-10-40(25(18)11-17)27-26(33)28(41)29(27)42;32-25-26(28(42)27(25)41)40-9-1-2-17-4-3-16(10-24(17)40)13-33-30(43)22-12-23(35-14-34-22)31(44)38-21-8-6-18-11-19(5-7-20(18)21)29-36-15-37-39-29;1-16-5-8-21-20(17(16)2)9-10-22(21)36-31(41)24-13-23(34-15-35-24)30(40)33-14-18-6-7-19-4-3-11-37(25(19)12-18)27-26(32)28(38)29(27)39;1-15-2-5-18-17(10-15)4-6-19(18)34-29(39)21-12-20(32-14-33-21)28(38)31-13-16-3-7-23-22(11-16)35(8-9-40-23)25-24(30)26(36)27(25)37/h5-8,12-13,15,23H,2-4,9-11,14,34H2,1H3,(H,35,44)(H,38,40)(H,39,45);4-7,11-12,14-15,22H,2-3,8-10,13,33H2,1H3,(H,34,44)(H,39,45)(H,37,38,40);4-6,8,11-13,15,22H,1-3,7,9-10,14,33H2,(H,34,43)(H,37,39)(H,38,44);3-5,7,10-12,14-15,21H,1-2,6,8-9,13,32H2,(H,33,43)(H,38,44)(H,36,37,39);5-8,12-13,15,22H,3-4,9-11,14,32H2,1-2H3,(H,33,40)(H,36,41);2-3,5,7,10-12,14,19H,4,6,8-9,13,30H2,1H3,(H,31,38)(H,34,39)/t23-;2*22-;21-;22-;19-/m000000/s1.
What are the key properties of 6-N-[[4-(2-amino-3,4-dioxocyclobuten-1-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]methyl]-4-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide?
6-N-[[4-(2-amino-3,4-dioxocyclobuten-1-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]methyl]-4-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide has a molecular weight of 3505.72 g/mol, XLogP of 12.58, 40 rotatable bonds, 22 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[[4-(2-amino-3,4-dioxocyclobuten-1-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]methyl]-4-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-2H-quinolin-7-yl]methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 160711651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).