5'-(5-chloro-2-methylphenyl)-2'-[2-(2-hydroxyethoxy)-4-methoxypyrimidin-5-yl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

C30H29ClN6O5 — CID 159285950

About 5'-(5-chloro-2-methylphenyl)-2'-[2-(2-hydroxyethoxy)-4-methoxypyrimidin-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'-[2-(2-hydroxyethoxy)-4-methoxypyrimidin-5-yl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 159285950) has the molecular formula C30H29ClN6O5 and a molecular weight of 589.05 g/mol. Its IUPAC name is 5'-(5-chloro-2-methylphenyl)-2'-[2-(2-hydroxyethoxy)-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'-(5-chloro-2-methylphenyl)-2'-[2-(2-hydroxyethoxy)-4-methoxypyrimidin-5-yl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• PubChem CID: 159285950
• Molecular Formula: C30H29ClN6O5
• Molecular Weight: 589.05 g/mol
• Exact Mass: 588.19
• IUPAC Name: 5'-(5-chloro-2-methylphenyl)-2'-[2-(2-hydroxyethoxy)-4-methoxypyrimidin-5-yl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• SMILES: COc1nc(OCCO)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)ccc1C)C2=O
• InChI: InChI=1S/C30H29ClN6O5/c1-15(2)36-24-23(34-25(36)19-14-32-29(42-11-10-38)35-26(19)41-5)27(39)37(22-13-18(31)8-7-17(22)4)30(24)20-9-6-16(3)12-21(20)33-28(30)40/h6-9,12-15,38H,10-11H2,1-5H3,(H,33,40)
• InChIKey: OYOSGMUCZBHCLH-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 131.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	589.05
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5'-(5-chloro-2-methylphenyl)-2'-[2-(2-hydroxyethoxy)-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'-(5-chloro-2-methylphenyl)-2'-[2-(2-hydroxyethoxy)-4-methoxypyrimidin-5-yl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 159285950) is 5'-(5-chloro-2-methylphenyl)-2'-[2-(2-hydroxyethoxy)-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'-(5-chloro-2-methylphenyl)-2'-[2-(2-hydroxyethoxy)-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'-(5-chloro-2-methylphenyl)-2'-[2-(2-hydroxyethoxy)-4-methoxypyrimidin-5-yl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is COc1nc(OCCO)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)ccc1C)C2=O.

What is the InChIKey of 5'-(5-chloro-2-methylphenyl)-2'-[2-(2-hydroxyethoxy)-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 OYOSGMUCZBHCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClN6O5/c1-15(2)36-24-23(34-25(36)19-14-32-29(42-11-10-38)35-26(19)41-5)27(39)37(22-13-18(31)8-7-17(22)4)30(24)20-9-6-16(3)12-21(20)33-28(30)40/h6-9,12-15,38H,10-11H2,1-5H3,(H,33,40).

What are the key properties of 5'-(5-chloro-2-methylphenyl)-2'-[2-(2-hydroxyethoxy)-4-methoxypyrimidin-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'-[2-(2-hydroxyethoxy)-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 589.05 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-(5-chloro-2-methylphenyl)-2'-[2-(2-hydroxyethoxy)-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 159285950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).