5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[4-[2-hydroxyethyl(methyl)amino]-2-methoxyphenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

C121H113Cl4N25O16 — CID 162066070

About 5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[4-[2-hydroxyethyl(methyl)amino]-2-methoxyphenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[4-[2-hydroxyethyl(methyl)amino]-2-methoxyphenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 162066070) has the molecular formula C121H113Cl4N25O16 and a molecular weight of 2315.21 g/mol. Its IUPAC name is 5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[4-[2-hydroxyethyl(methyl)amino]-2-methoxyphenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

Molecular Properties

• Compound Name: 5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[4-[2-hydroxyethyl(methyl)amino]-2-methoxyphenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• PubChem CID: 162066070
• Molecular Formula: C121H113Cl4N25O16
• Molecular Weight: 2315.21 g/mol
• Exact Mass: 2311.76
• IUPAC Name: 5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[4-[2-hydroxyethyl(methyl)amino]-2-methoxyphenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• SMILES: COc1cc(N(C)CCO)ccc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)ccc1C)C2=O.COc1nc(C2CC2)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)cnc1C)C2=O.COc1ncc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2ccc(OC)c(Cl)c2)C3=O)c(OC)n1.[C-]#[N+]c1cc(Cl)cc(N2C(=O)c3nc(-c4cnc(OC)nc4OC)n(C(C)C)c3C23C(=O)Nc2cc(C)ccc23)c1
• InChI: InChI=1S/C33H34ClN5O4.C30H28ClN7O3.C29H24ClN7O4.C29H27ClN6O5/c1-18(2)38-29-28(36-30(38)23-11-10-22(17-27(23)43-6)37(5)13-14-40)31(41)39(26-16-21(34)9-8-20(26)4)33(29)24-12-7-19(3)15-25(24)35-32(33)42;1-14(2)37-24-23(35-26(37)19-13-33-25(17-7-8-17)36-27(19)41-5)28(39)38(22-11-18(31)12-32-16(22)4)30(24)20-9-6-15(3)10-21(20)34-29(30)40;1-14(2)36-23-22(34-24(36)19-13-32-28(41-6)35-25(19)40-5)26(38)37(18-11-16(30)10-17(12-18)31-4)29(23)20-8-7-15(3)9-21(20)33-27(29)39;1-14(2)35-23-22(33-24(35)17-13-31-28(41-6)34-25(17)40-5)26(37)36(16-8-10-21(39-4)19(30)12-16)29(23)18-9-7-15(3)11-20(18)32-27(29)38/h7-12,15-18,40H,13-14H2,1-6H3,(H,35,42);6,9-14,17H,7-8H2,1-5H3,(H,34,40);7-14H,1-3,5-6H3,(H,33,39);7-14H,1-6H3,(H,32,38)
• InChIKey: ZALWRNBUQTUMTA-UHFFFAOYSA-N
• XLogP: 21.09
• TPSA: 451.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2315.21
LogP ≤ 5	21.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[4-[2-hydroxyethyl(methyl)amino]-2-methoxyphenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The IUPAC name of 5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[4-[2-hydroxyethyl(methyl)amino]-2-methoxyphenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 162066070) is 5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[4-[2-hydroxyethyl(methyl)amino]-2-methoxyphenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

What is the SMILES notation for 5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[4-[2-hydroxyethyl(methyl)amino]-2-methoxyphenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The canonical SMILES for 5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[4-[2-hydroxyethyl(methyl)amino]-2-methoxyphenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is COc1cc(N(C)CCO)ccc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)ccc1C)C2=O.COc1nc(C2CC2)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)cnc1C)C2=O.COc1ncc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2ccc(OC)c(Cl)c2)C3=O)c(OC)n1.[C-]#[N+]c1cc(Cl)cc(N2C(=O)c3nc(-c4cnc(OC)nc4OC)n(C(C)C)c3C23C(=O)Nc2cc(C)ccc23)c1.

What is the InChIKey of 5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[4-[2-hydroxyethyl(methyl)amino]-2-methoxyphenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The InChIKey is ZALWRNBUQTUMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34ClN5O4.C30H28ClN7O3.C29H24ClN7O4.C29H27ClN6O5/c1-18(2)38-29-28(36-30(38)23-11-10-22(17-27(23)43-6)37(5)13-14-40)31(41)39(26-16-21(34)9-8-20(26)4)33(29)24-12-7-19(3)15-25(24)35-32(33)42;1-14(2)37-24-23(35-26(37)19-13-33-25(17-7-8-17)36-27(19)41-5)28(39)38(22-11-18(31)12-32-16(22)4)30(24)20-9-6-15(3)10-21(20)34-29(30)40;1-14(2)36-23-22(34-24(36)19-13-32-28(41-6)35-25(19)40-5)26(38)37(18-11-16(30)10-17(12-18)31-4)29(23)20-8-7-15(3)9-21(20)33-27(29)39;1-14(2)35-23-22(33-24(35)17-13-31-28(41-6)34-25(17)40-5)26(37)36(16-8-10-21(39-4)19(30)12-16)29(23)18-9-7-15(3)11-20(18)32-27(29)38/h7-12,15-18,40H,13-14H2,1-6H3,(H,35,42);6,9-14,17H,7-8H2,1-5H3,(H,34,40);7-14H,1-3,5-6H3,(H,33,39);7-14H,1-6H3,(H,32,38).

What are the key properties of 5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[4-[2-hydroxyethyl(methyl)amino]-2-methoxyphenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[4-[2-hydroxyethyl(methyl)amino]-2-methoxyphenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione has a molecular weight of 2315.21 g/mol, XLogP of 21.09, 23 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[4-[2-hydroxyethyl(methyl)amino]-2-methoxyphenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is sourced from PubChem (CID 162066070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).