6-chloro-5'-(3-chloro-4-methylphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-2'-[4-(dimethylamino)-2-methoxyphenyl]-5'-(2,5-dimethylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N,N-dimethylbenzamide;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N-methylbenzamide;6-chloro-5'-(2,5-dimethylphenyl)-2'-(5-methoxy-2-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-5'-(2,5-dimethylphenyl)-2'-(4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

C187H177Cl7N30O21 — CID 158458590

IUPAC6-chloro-5'-(3-chloro-4-methylphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-2'-[4-(dimethylamino)-2-methoxyphenyl]-5'-(2,5-dimethylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N,N-dimethylbenzamide;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N-methylbenzamide;6-chloro-5'-(2,5-dimethylphenyl)-2'-(5-methoxy-2-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-5'-(2,5-dimethylphenyl)-2'-(4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
SMILESCNC(=O)c1ccc(OC)c(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(Cl)ccc42)N(c2cc(C)ccc2C)C3=O)c1.COc1cc(N(C)C)ccc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(C)ccc1C)C2=O.COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(C)ccc1C)C2=O.COc1ccc(C(C)C)c(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(Cl)ccc42)N(c2cc(C)ccc2C)C3=O)c1.COc1ccncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(C)ccc1C)C2=O.COc1ncc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(Cl)ccc42)N(c2ccc(C)c(Cl)c2)C3=O)c(OC)n1
InChIInChI=1S/C33H32ClN5O4.C33H33ClN4O3.C32H30ClN5O4.C32H32ClN5O3.C29H26ClN5O3.C28H24Cl2N6O4/c1-17(2)38-28-27(36-29(38)22-15-20(30(40)37(5)6)10-13-26(22)43-7)31(41)39(25-14-18(3)8-9-19(25)4)33(28)23-12-11-21(34)16-24(23)35-32(33)42;1-17(2)23-12-11-22(41-7)16-24(23)30-36-28-29(37(30)18(3)4)33(25-13-10-21(34)15-26(25)35-32(33)40)38(31(28)39)27-14-19(5)8-9-20(27)6;1-16(2)37-27-26(36-28(37)21-14-19(29(39)34-5)9-12-25(21)42-6)30(40)38(24-13-17(3)7-8-18(24)4)32(27)22-11-10-20(33)15-23(22)35-31(32)41;1-17(2)37-28-27(35-29(37)22-12-11-21(36(5)6)16-26(22)41-7)30(39)38(25-14-18(3)8-9-19(25)4)32(28)23-13-10-20(33)15-24(23)34-31(32)40;1-15(2)34-25-24(33-26(34)19-14-31-11-10-23(19)38-5)27(36)35(22-12-16(3)6-7-17(22)4)29(25)20-9-8-18(30)13-21(20)32-28(29)37;1-13(2)35-22-21(33-23(35)17-12-31-27(40-5)34-24(17)39-4)25(37)36(16-8-6-14(3)19(30)11-16)28(22)18-9-7-15(29)10-20(18)32-26(28)38/h8-17H,1-7H3,(H,35,42);8-18H,1-7H3,(H,35,40);7-16H,1-6H3,(H,34,39)(H,35,41);8-17H,1-7H3,(H,34,40);6-15H,1-5H3,(H,32,37);6-13H,1-5H3,(H,32,38)
InChIKeyHEWMZMGWNXXOJR-UHFFFAOYSA-N
MW3428.83 g/mol
LogP36.39
Rot. Bonds29

About 6-chloro-5'-(3-chloro-4-methylphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-2'-[4-(dimethylamino)-2-methoxyphenyl]-5'-(2,5-dimethylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N,N-dimethylbenzamide;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N-methylbenzamide;6-chloro-5'-(2,5-dimethylphenyl)-2'-(5-methoxy-2-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-5'-(2,5-dimethylphenyl)-2'-(4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

6-chloro-5'-(3-chloro-4-methylphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-2'-[4-(dimethylamino)-2-methoxyphenyl]-5'-(2,5-dimethylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N,N-dimethylbenzamide;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N-methylbenzamide;6-chloro-5'-(2,5-dimethylphenyl)-2'-(5-methoxy-2-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-5'-(2,5-dimethylphenyl)-2'-(4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 158458590) has the molecular formula C187H177Cl7N30O21 and a molecular weight of 3428.83 g/mol. Its IUPAC name is 6-chloro-5'-(3-chloro-4-methylphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-2'-[4-(dimethylamino)-2-methoxyphenyl]-5'-(2,5-dimethylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N,N-dimethylbenzamide;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N-methylbenzamide;6-chloro-5'-(2,5-dimethylphenyl)-2'-(5-methoxy-2-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-5'-(2,5-dimethylphenyl)-2'-(4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

Molecular Properties

Compound Name6-chloro-5'-(3-chloro-4-methylphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-2'-[4-(dimethylamino)-2-methoxyphenyl]-5'-(2,5-dimethylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N,N-dimethylbenzamide;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N-methylbenzamide;6-chloro-5'-(2,5-dimethylphenyl)-2'-(5-methoxy-2-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-5'-(2,5-dimethylphenyl)-2'-(4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
PubChem CID158458590
Molecular FormulaC187H177Cl7N30O21
Molecular Weight3428.83 g/mol
Exact Mass3423.15
IUPAC Name6-chloro-5'-(3-chloro-4-methylphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-2'-[4-(dimethylamino)-2-methoxyphenyl]-5'-(2,5-dimethylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N,N-dimethylbenzamide;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N-methylbenzamide;6-chloro-5'-(2,5-dimethylphenyl)-2'-(5-methoxy-2-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-5'-(2,5-dimethylphenyl)-2'-(4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
SMILESCNC(=O)c1ccc(OC)c(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(Cl)ccc42)N(c2cc(C)ccc2C)C3=O)c1.COc1cc(N(C)C)ccc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(C)ccc1C)C2=O.COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(C)ccc1C)C2=O.COc1ccc(C(C)C)c(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(Cl)ccc42)N(c2cc(C)ccc2C)C3=O)c1.COc1ccncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(C)ccc1C)C2=O.COc1ncc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(Cl)ccc42)N(c2ccc(C)c(Cl)c2)C3=O)c(OC)n1
InChIInChI=1S/C33H32ClN5O4.C33H33ClN4O3.C32H30ClN5O4.C32H32ClN5O3.C29H26ClN5O3.C28H24Cl2N6O4/c1-17(2)38-28-27(36-29(38)22-15-20(30(40)37(5)6)10-13-26(22)43-7)31(41)39(25-14-18(3)8-9-19(25)4)33(28)23-12-11-21(34)16-24(23)35-32(33)42;1-17(2)23-12-11-22(41-7)16-24(23)30-36-28-29(37(30)18(3)4)33(25-13-10-21(34)15-26(25)35-32(33)40)38(31(28)39)27-14-19(5)8-9-20(27)6;1-16(2)37-27-26(36-28(37)21-14-19(29(39)34-5)9-12-25(21)42-6)30(40)38(24-13-17(3)7-8-18(24)4)32(27)22-11-10-20(33)15-23(22)35-31(32)41;1-17(2)37-28-27(35-29(37)22-12-11-21(36(5)6)16-26(22)41-7)30(39)38(25-14-18(3)8-9-19(25)4)32(28)23-13-10-20(33)15-24(23)34-31(32)40;1-15(2)34-25-24(33-26(34)19-14-31-11-10-23(19)38-5)27(36)35(22-12-16(3)6-7-17(22)4)29(25)20-9-8-18(30)13-21(20)32-28(29)37;1-13(2)35-22-21(33-23(35)17-12-31-27(40-5)34-24(17)39-4)25(37)36(16-8-6-14(3)19(30)11-16)28(22)18-9-7-15(29)10-20(18)32-26(28)38/h8-17H,1-7H3,(H,35,42);8-18H,1-7H3,(H,35,40);7-16H,1-6H3,(H,34,39)(H,35,41);8-17H,1-7H3,(H,34,40);6-15H,1-5H3,(H,32,37);6-13H,1-5H3,(H,32,38)
InChIKeyHEWMZMGWNXXOJR-UHFFFAOYSA-N
XLogP36.39
TPSA559.31 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds29
Heavy Atoms245
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003428.83
LogP ≤ 536.39
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Analyze 6-chloro-5'-(3-chloro-4-methylphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-2'-[4-(dimethylamino)-2-methoxyphenyl]-5'-(2,5-dimethylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N,N-dimethylbenzamide;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N-methylbenzamide;6-chloro-5'-(2,5-dimethylphenyl)-2'-(5-methoxy-2-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-5'-(2,5-dimethylphenyl)-2'-(4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5'-(3-chloro-4-methylphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-2'-[4-(dimethylamino)-2-methoxyphenyl]-5'-(2,5-dimethylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N,N-dimethylbenzamide;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N-methylbenzamide;6-chloro-5'-(2,5-dimethylphenyl)-2'-(5-methoxy-2-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-5'-(2,5-dimethylphenyl)-2'-(4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?
The IUPAC name of 6-chloro-5'-(3-chloro-4-methylphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-2'-[4-(dimethylamino)-2-methoxyphenyl]-5'-(2,5-dimethylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N,N-dimethylbenzamide;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N-methylbenzamide;6-chloro-5'-(2,5-dimethylphenyl)-2'-(5-methoxy-2-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-5'-(2,5-dimethylphenyl)-2'-(4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 158458590) is 6-chloro-5'-(3-chloro-4-methylphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-2'-[4-(dimethylamino)-2-methoxyphenyl]-5'-(2,5-dimethylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N,N-dimethylbenzamide;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N-methylbenzamide;6-chloro-5'-(2,5-dimethylphenyl)-2'-(5-methoxy-2-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-5'-(2,5-dimethylphenyl)-2'-(4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.
What is the SMILES notation for 6-chloro-5'-(3-chloro-4-methylphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-2'-[4-(dimethylamino)-2-methoxyphenyl]-5'-(2,5-dimethylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N,N-dimethylbenzamide;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N-methylbenzamide;6-chloro-5'-(2,5-dimethylphenyl)-2'-(5-methoxy-2-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-5'-(2,5-dimethylphenyl)-2'-(4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?
The canonical SMILES for 6-chloro-5'-(3-chloro-4-methylphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-2'-[4-(dimethylamino)-2-methoxyphenyl]-5'-(2,5-dimethylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N,N-dimethylbenzamide;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N-methylbenzamide;6-chloro-5'-(2,5-dimethylphenyl)-2'-(5-methoxy-2-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-5'-(2,5-dimethylphenyl)-2'-(4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is CNC(=O)c1ccc(OC)c(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(Cl)ccc42)N(c2cc(C)ccc2C)C3=O)c1.COc1cc(N(C)C)ccc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(C)ccc1C)C2=O.COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(C)ccc1C)C2=O.COc1ccc(C(C)C)c(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(Cl)ccc42)N(c2cc(C)ccc2C)C3=O)c1.COc1ccncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(C)ccc1C)C2=O.COc1ncc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(Cl)ccc42)N(c2ccc(C)c(Cl)c2)C3=O)c(OC)n1.
What is the InChIKey of 6-chloro-5'-(3-chloro-4-methylphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-2'-[4-(dimethylamino)-2-methoxyphenyl]-5'-(2,5-dimethylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N,N-dimethylbenzamide;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N-methylbenzamide;6-chloro-5'-(2,5-dimethylphenyl)-2'-(5-methoxy-2-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-5'-(2,5-dimethylphenyl)-2'-(4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?
The InChIKey is HEWMZMGWNXXOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32ClN5O4.C33H33ClN4O3.C32H30ClN5O4.C32H32ClN5O3.C29H26ClN5O3.C28H24Cl2N6O4/c1-17(2)38-28-27(36-29(38)22-15-20(30(40)37(5)6)10-13-26(22)43-7)31(41)39(25-14-18(3)8-9-19(25)4)33(28)23-12-11-21(34)16-24(23)35-32(33)42;1-17(2)23-12-11-22(41-7)16-24(23)30-36-28-29(37(30)18(3)4)33(25-13-10-21(34)15-26(25)35-32(33)40)38(31(28)39)27-14-19(5)8-9-20(27)6;1-16(2)37-27-26(36-28(37)21-14-19(29(39)34-5)9-12-25(21)42-6)30(40)38(24-13-17(3)7-8-18(24)4)32(27)22-11-10-20(33)15-23(22)35-31(32)41;1-17(2)37-28-27(35-29(37)22-12-11-21(36(5)6)16-26(22)41-7)30(39)38(25-14-18(3)8-9-19(25)4)32(28)23-13-10-20(33)15-24(23)34-31(32)40;1-15(2)34-25-24(33-26(34)19-14-31-11-10-23(19)38-5)27(36)35(22-12-16(3)6-7-17(22)4)29(25)20-9-8-18(30)13-21(20)32-28(29)37;1-13(2)35-22-21(33-23(35)17-12-31-27(40-5)34-24(17)39-4)25(37)36(16-8-6-14(3)19(30)11-16)28(22)18-9-7-15(29)10-20(18)32-26(28)38/h8-17H,1-7H3,(H,35,42);8-18H,1-7H3,(H,35,40);7-16H,1-6H3,(H,34,39)(H,35,41);8-17H,1-7H3,(H,34,40);6-15H,1-5H3,(H,32,37);6-13H,1-5H3,(H,32,38).
What are the key properties of 6-chloro-5'-(3-chloro-4-methylphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-2'-[4-(dimethylamino)-2-methoxyphenyl]-5'-(2,5-dimethylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N,N-dimethylbenzamide;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N-methylbenzamide;6-chloro-5'-(2,5-dimethylphenyl)-2'-(5-methoxy-2-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-5'-(2,5-dimethylphenyl)-2'-(4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?
6-chloro-5'-(3-chloro-4-methylphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-2'-[4-(dimethylamino)-2-methoxyphenyl]-5'-(2,5-dimethylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N,N-dimethylbenzamide;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N-methylbenzamide;6-chloro-5'-(2,5-dimethylphenyl)-2'-(5-methoxy-2-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-5'-(2,5-dimethylphenyl)-2'-(4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione has a molecular weight of 3428.83 g/mol, XLogP of 36.39, 29 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5'-(3-chloro-4-methylphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-2'-[4-(dimethylamino)-2-methoxyphenyl]-5'-(2,5-dimethylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N,N-dimethylbenzamide;3-[6-chloro-5'-(2,5-dimethylphenyl)-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-4-methoxy-N-methylbenzamide;6-chloro-5'-(2,5-dimethylphenyl)-2'-(5-methoxy-2-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;6-chloro-5'-(2,5-dimethylphenyl)-2'-(4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is sourced from PubChem (CID 158458590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).