6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-methoxy-4-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

C31H29Cl2N5O3 — CID 142613100

About 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-methoxy-4-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-methoxy-4-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 142613100) has the molecular formula C31H29Cl2N5O3 and a molecular weight of 590.51 g/mol. Its IUPAC name is 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-methoxy-4-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

Molecular Properties

• Compound Name: 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-methoxy-4-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• PubChem CID: 142613100
• Molecular Formula: C31H29Cl2N5O3
• Molecular Weight: 590.51 g/mol
• Exact Mass: 589.16
• IUPAC Name: 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-methoxy-4-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• SMILES: COc1cc(C(C)C)ccc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)cnc1C)C2=O
• InChI: InChI=1S/C31H29Cl2N5O3/c1-15(2)18-7-9-21(25(11-18)41-6)28-36-26-27(37(28)16(3)4)31(22-10-8-19(32)12-23(22)35-30(31)40)38(29(26)39)24-13-20(33)14-34-17(24)5/h7-16H,1-6H3,(H,35,40)
• InChIKey: KWMYSYGKXPGJHV-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.51
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-methoxy-4-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The IUPAC name of 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-methoxy-4-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 142613100) is 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-methoxy-4-propan-2-ylphenyl)-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'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-methoxy-4-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The canonical SMILES for 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-methoxy-4-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is COc1cc(C(C)C)ccc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)cnc1C)C2=O.

What is the InChIKey of 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-methoxy-4-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The InChIKey is KWMYSYGKXPGJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29Cl2N5O3/c1-15(2)18-7-9-21(25(11-18)41-6)28-36-26-27(37(28)16(3)4)31(22-10-8-19(32)12-23(22)35-30(31)40)38(29(26)39)24-13-20(33)14-34-17(24)5/h7-16H,1-6H3,(H,35,40).

What are the key properties of 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-methoxy-4-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-methoxy-4-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione has a molecular weight of 590.51 g/mol, XLogP of 7.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2-methoxy-4-propan-2-ylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is sourced from PubChem (CID 142613100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).